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.content-5050-large h3 { font-size: 28px; line-height: 36px; } /* lighten parent page label in hero */ body.page-template-product-child-page .site-hero .badge, body.page-template-product-database-page .site-hero .badge { background: rgba(106, 110, 245, 0.25); } /* prevent svg icon blending with active background */ body .vertical.tabs .tabs-title.is-active img.icon { background: #fff; border-radius: 50%; box-shadow: 0 0 0 2px #0068a6; } body.is-mobile .hero__background-video { display: none !important; } body.is-mobile.home .hero.hero--advanced:before { background: linear-gradient(332deg, #001d2e 10.11%, #00314e 93.63%); } /* Remove bottom padding on pages w/ multi-line supported logos */ .supported-logos-multi-row { padding-top: 40px; padding-bottom: 0px; } /*Remove load More on Symposium*/ .agenda-block { height: auto !important; } .agenda-block .symposium-agenda-loadmore { display: none !important; } /* Slider dots sit below images on product pages */ @media screen and (min-width: 1200px) { .views-slider-container .slick-dots { bottom: auto; } } /*Style drop-down fields like text boxes */ .gfield_select { background-color: #ffffff; border: 1px solid #8baed4; } /* Remove padding from cards for Resource pages */ @media print, screen and (min-width: 64em) { .flexible-page-cards-no-padding { padding: 30px 0; } } .flexible-page-cards-no-padding { padding: 30px 0; } .flexible-page-cards-no-padding .card-row { display: flex; align-items: center; justify-content: center; } .flexible-page-cards-no-padding .card-row .main-link { display: inline-block; max-width: 441px; } .flexible-page-cards-no-padding a { text-decoration: none; font-weight: initial; } @media print, screen and (min-width: 40em) { .flexible-page-cards-no-padding .card { height: 100%; margin-left: 12px; margin-right: 12px; } } @media screen and (max-width: 39.99875em) { .flexible-page-cards-no-padding .card-row { flex-wrap: wrap; } .flexible-page-cards-no-padding .card { width: 100%; height: auto; margin-bottom: 16px; } } .flexible-page-cards-no-padding .card { background: #fff; margin-bottom: 22px; padding: 40px 30px; border: solid 1px #6a6ef4; display: flex; flex-direction: column; align-items: flex-start; justify-content: center; box-shadow: 0px 10px 24px rgb(106 110 244 / 15%); } .flexible-page-cards-no-padding h4 { color: #0067a6; } .flexible-page-cards-no-padding .card p { font-size: 16px; line-height: 25px; letter-spacing: 0.5px; color: #767676; } /* Supported Logos Multi-Row (use this for all except the bottom row)*/ .page-template-product-child-page .supported-logos-multi-row, .page-template-product-database-page .supported-logos-multi-row { padding-top: 40px; padding-bottom: 0px; } .page-template-product-child-page .supported-logos-multi-row .logos, .page-template-product-database-page .supported-logos-multi-row .logos { list-style: none; max-width: 1000px; margin-left: auto; margin-right: auto; display: flex; align-items: center; justify-content: center; flex-wrap: wrap; } .page-template-product-child-page .supported-logos-multi-row .logos li, .page-template-product-database-page .supported-logos-multi-row .logos li { width: 100px; margin: 15px; } .page-template-product-child-page .supported-logos-multi-row .link-container, .page-template-product-database-page .supported-logos-multi-row .link-container { margin-top: 20px; } .page-template-product-child-page .supported-logos-multi-row .link-container .arrow-link, .page-template-product-database-page .supported-logos-multi-row .link-container .arrow-link { display: block; text-decoration: none; } /* White text, specifically checkbox label on dark background */ .page-template-product-child-page .pricing-block #gform_wrapper_62 .gfield_checkbox label { color: #fff; } /*Bulleted List with X bullets (Blog) */ ul.fancy-list-x { max-width: 100%; list-style: none; margin-left: 0; margin-bottom: 0; } ul.fancy-list-x li { padding-left: 1.5625rem !important; margin-bottom: 22px; position: relative !important; font-size: 16px; line-height: 25px; letter-spacing: 0.5px; font-family: 'Proxima Nova', 'Helvetica Neue', Helvetica, Roboto, Arial, sans-serif; max-width: 100%; } ul.fancy-list-x li .svg-inline--fa { content: '' !important; display: inline-block !important; } ul.fancy-list-x li::before, ul.fancy-list-x li .svg-inline--fa { position: absolute; top: 4px; right: auto; bottom: auto; left: 0; content: '\f057' !important; width: auto !important; height: 1rem !important; display: none; font-size: 0.7rem !important; font-family: 'Font Awesome 5 Solid' !important; color: #ff0000 !important; } ul.fancy-list-x li .svg-inline--fa path { color: #ff0000 !important; } /* NEW SIDE MENU MISSING CODE FROM BUILD override*/ .new-side-menu { position: fixed; right: 0; top: 12.5rem; background: rgba(245, 245, 245, 0.9); box-shadow: 0px 4px 20px rgba(0, 0, 0, 0.1); backdrop-filter: blur(30px); border-radius: 0.5rem 0 0 0.5rem; padding: 1.875rem 1.25rem; width: 14.6875rem; display: none; } @media screen and (min-width: 101.25em) { .new-side-menu.show { display: block; } } .new-side-menu ul { list-style: none; margin-left: 0; margin-bottom: 0; text-align: right; } .new-side-menu ul li { margin: 0; } .new-side-menu ul li ~ li { margin-top: 0.8125rem; } .new-side-menu ul li a { font-family: 'Proxima Nova', 'Helvetica Neue', Helvetica, Roboto, Arial, sans-serif; font-style: normal; font-weight: 400; font-size: 14px; line-height: 24px; letter-spacing: 0.5px; text-decoration: none; color: #001d2e; position: relative; display: flex; align-items: center; justify-content: flex-end; } .notification-bar { position: static; background: #6a6ef4; } .notification-bar a, .notification-bar a:hover, .notification-bar p { color: #ffffff; } .new-side-menu ul li a:hover { color: #00b471; } .new-side-menu ul li a:after { content: ''; display: block; width: 0.4375rem; height: 0.4375rem; background: transparent; border: 0.0625rem solid #767676; border-radius: 50%; margin-left: 0.625rem; } .new-side-menu ul li a.active { color: #00b471; } .new-side-menu ul li a.active:after { background: #00b471; border-color: #00b471; } /*Tech Support Right-side Boxes*/ .flexible-tech-support { padding: 60px 0; } @media print, screen and (min-width: 64em) { .flexible-tech-support { padding: 100px 0; } } @media print, screen and (min-width: 64em) { .flexible-tech-support h2 { margin-bottom: 40px; } } .flexible-tech-support h4 { color: #0067a6; } .flexible-tech-support a { text-decoration: none; font-weight: initial; } .flexible-tech-support .card { background: #fff; margin-bottom: 22px; padding: 40px 30px; border: solid 1px #6a6ef4; display: flex; flex-direction: column; align-items: flex-start; justify-content: center; box-shadow: 0px 10px 24px rgba(106, 110, 244, 0.15); } .flexible-tech-support .card.dark { background: linear-gradient(84.29deg, #001d2e 1.61%, #00314e 74.62%); } .flexible-tech-support .card.dark h4, .flexible-tech-support .card.dark p, .flexible-tech-support .card.dark a { color: #fff !important; } @media screen and (max-width: 39.99875em) { .flexible-tech-support .card h4 { font-size: 25px; } } @media print, screen and (min-width: 40em) { .flexible-tech-support .card { height: 100%; margin-left: 12px; margin-right: 12px; } } .flexible-tech-support .card p { font-size: 16px; line-height: 25px; letter-spacing: 0.5px; color: #767676; } .flexible-tech-support .card .arrow-link { font-weight: bold; } .js-error-log p { background: #fff9f9; border: 1px solid #c02b0a; font-size: 14.992px; margin-top: 8px; color: #c02b0a !important; padding: 12.992px 24px; clear: both; font-family: inherit; font-size: 15px; letter-spacing: normal; line-height: inherit; padding-top: 13px; width: 100%; font-weight: bold !important; } .resource-tab__item { position: relative; padding-top: rem-calc(40) !important; } .item-absolute { font-weight: bold; position: absolute; padding: 10px 20px; top: 0; right: 0; background: #001d2e; color: #a6a9ff; pointer-events: none; margin: 0; } /*Add padding to display "data-type" labels on portal resource boxes*/ @media print, screen and (min-width: 64em) { .portal-resource-list .resource-tab__item { padding: 40px 40px 20px 40px; /*color: blue;*/ } } ul.fancy-list li::before, ul.fancy-list li .svg-inline--fa { position: absolute; top: 4px; right: auto; bottom: auto; left: 0; } ul.fancy-list li::before, ul.fancy-list li svg { position: absolute; top: 4px; right: auto; bottom: auto; left: 0; } .portal-resource-list .resource-tab__item { padding: 40px 40px; padding-top: 50px; } #gform_wrapper_71 { max-width: 636px; margin: auto; padding: 30px 20px; box-shadow: 0px 5px 18px 0px rgba(106, 110, 244, 0.3); } @media print, screen and (min-width: 40em) { #gform_wrapper_71 { padding: 50px 74px; } } #gform_wrapper_71 h2 { max-width: 700px; margin: auto; text-align: center; color: #0067a6; } #gform_wrapper_71 h5 { color: #6a6ef4; } #gform_wrapper_71 .ginput_complex { display: block; } #gform_wrapper_71 .ginput_complex span { display: block; padding: 0px; margin: 0px; } #gform_wrapper_71 .ginput_complex span:first-child { margin-bottom: 16px; } #gform_wrapper_71 .form-position { display: flex; flex-wrap: wrap; justify-content: center; align-items: center; background: #f1f5fa; padding: 13px; margin: 22px 0; } @media print, screen and (min-width: 64em) { #gform_wrapper_71 .form-position { margin: 42px 0; margin-bottom: 62px; } } #gform_wrapper_71 .form-position p { margin-bottom: 0px; font-size: 14px; line-height: 18px; letter-spacing: 0.8px; color: #0067a6; font-weight: bold; max-width: 90px; } #gform_wrapper_71 .form-position p.active { color: #6a6ef4; } #gform_wrapper_71 .form-position span { background: #0067a6; color: #fff; width: 30px; height: 30px; display: flex; align-items: center; justify-content: center; border-radius: 50%; margin: 0 22px; } #gform_wrapper_71 .gfield_label { font-size: 16px; line-height: 24px; color: #0067a6; font-weight: bold; } #gform_wrapper_71 input[type='text'], #gform_wrapper_71 input[type='email'], #gform_wrapper_71 textarea { background: #ffffff; border: 1px solid #8baed4; } #gform_wrapper_71 input[type='text']::placeholder, #gform_wrapper_71 input[type='email']::placeholder, #gform_wrapper_71 textarea::placeholder { color: #767676; } #gform_wrapper_71 #input_13_8 { border: none; padding: 0px !important; } #gform_wrapper_71 select { padding-right: 33px !important; color: #767676; } #gform_wrapper_71 select::placeholder { color: #767676; } #gform_wrapper_71 #field_6_8 label { font-size: 16px; line-height: 19px; letter-spacing: 3px; text-transform: uppercase; color: #6a6ef4; } #gform_wrapper_71 #field_6_8 .gfield_description { font-size: 16px; line-height: 24px; color: #0067a6; font-weight: bold; } #gform_wrapper_71 #field_6_8 #file-upload-button { border: 1px solid #001d2e; box-sizing: border-box; box-shadow: 0px 16px 24px rgba(106, 110, 244, 0.184583); border-radius: 2px; padding: 24px; background: #fff; } #gform_wrapper_71 fieldset .gfield_label { font-size: 16px; line-height: 24px; color: #0067a6; font-weight: bold; } #gform_wrapper_71 #gform_submit_button_6, #gform_wrapper_71 .gform_next_button { width: 100%; } #gform_wrapper_71 .gform_previous_button, #gform_wrapper_71 .gform_fileupload_rules { display: none; } #gform_wrapper_71 #gfield_instruction_13_29 { display: none; } #gform_wrapper_71 #input_13_28 { display: flex; margin-bottom: 0px; } #gform_wrapper_71 #field_13_29 .gfield_description, #gform_wrapper_71 #field_13_30 .gfield_description, #gform_wrapper_71 #field_13_26 .gfield_description { display: block; font-size: 14px; color: #767676; background: #fff; padding: 4px 10px; margin-top: 10px; } #gform_wrapper_71 #field_13_29 .gform_page_footer input + input, #gform_wrapper_71 #field_13_30 .gform_page_footer input + input, #gform_wrapper_71 #field_13_26 .gform_page_footer input + input { margin-left: 0px; } /* Blog Author */ .content-area section.nv-author { padding-bottom: 80px !important; } .nv-author { background-color: #f1f2f2; margin-top: 30px; padding-top: 30px; padding-left: 30px; padding-right: 30px; } .nv-author__image { float: left; margin-right: 20px; } .single-post h4.nv-author__name { margin-bottom: 5px; color: #6a6ef4; } .nv-author__description { clear: both; padding-top: 10px; font-size: 0.9rem; } /* Segmentations */ .page-id-13757 .grid-container #gform_wrapper_81 { display: flex; align-items: center; justify-content: center; } .page-id-13757 #gform_wrapper_81 .gchoice label { color: #767676; line-height: 24px; letter-spacing: 1.125px; } /* Nurture Footer Form */ /* Academia */ .subscribe-cta .grid-container .gform_wrapper #field_55_1 { display: flex; align-items: center; justify-content: flex-end; } .subscribe-cta .grid-container .gform_wrapper #field_55_1 .ginput_container { width: 100%; } /* ADMS */ .subscribe-cta .grid-container .gform_wrapper #field_28_1 { display: flex; align-items: center; justify-content: flex-end; } .subscribe-cta .grid-container .gform_wrapper #field_28_1 .ginput_container { width: 100%; } /* Chemists/Analysts */ .subscribe-cta .grid-container .gform_wrapper #field_65_1 { display: flex; align-items: center; justify-content: flex-end; } .subscribe-cta .grid-container .gform_wrapper #field_65_1 .ginput_container { width: 100%; } /* Chrom */ .subscribe-cta .grid-container .gform_wrapper #field_42_1 { display: flex; align-items: center; justify-content: flex-end; } .subscribe-cta .grid-container .gform_wrapper #field_42_1 .ginput_container { width: 100%; } /* Elucidation & Verification */ .subscribe-cta .grid-container .gform_wrapper #field_63_1 { display: flex; align-items: center; justify-content: flex-end; } .subscribe-cta .grid-container .gform_wrapper #field_63_1 .ginput_container { width: 100%; } /* Impurities */ .subscribe-cta .grid-container .gform_wrapper #field_46_1 { display: flex; align-items: center; justify-content: flex-end; } .subscribe-cta .grid-container .gform_wrapper #field_46_1 .ginput_container { width: 100%; } /* Luminata PharmDev & Regulatory */ .subscribe-cta .grid-container .gform_wrapper #field_40_1 { display: flex; align-items: center; justify-content: flex-end; } .subscribe-cta .grid-container .gform_wrapper #field_40_1 .ginput_container { width: 100%; } /* MS */ .subscribe-cta .grid-container .gform_wrapper #field_31_1 { display: flex; align-items: center; justify-content: flex-end; } .subscribe-cta .grid-container .gform_wrapper #field_31_1 .ginput_container { width: 100%; } /* NMR */ .subscribe-cta .grid-container .gform_wrapper #field_44_1 { display: flex; align-items: center; justify-content: flex-end; } .subscribe-cta .grid-container .gform_wrapper #field_44_1 .ginput_container { width: 100%; } /* Parallel Chem & HTE */ .subscribe-cta .grid-container .gform_wrapper #field_43_1 { display: flex; align-items: center; justify-content: flex-end; } .subscribe-cta .grid-container .gform_wrapper #field_43_1 .ginput_container { width: 100%; } /* Percepta/Property Prediction */ .subscribe-cta .grid-container .gform_wrapper #field_78_1 { display: flex; align-items: center; justify-content: flex-end; } .subscribe-cta .grid-container .gform_wrapper #field_78_1 .ginput_container { width: 100%; } /* Structure Drawing */ .subscribe-cta .grid-container .gform_wrapper #field_45_1 { display: flex; align-items: center; justify-content: flex-end; } .subscribe-cta .grid-container .gform_wrapper #field_45_1 .ginput_container { width: 100%; } .gform_wrapper #field_74_20 .gfield_radio { display: flex; } .gform_wrapper #field_74_20 .gchoice { margin-right: 30px; } .color-js { color: #00adee; } .deployment { position: absolute; padding: 10px 30px; top: 0; left: 0; font-size: 1.5em; font-style: italic; } .page-template-product-child-page .text-editor .main-color-green .js-list ul ::marker{ color: #00adee; !important } /*Portal Difficulty*/ .portal-resource-list .resource-tab__item .item-difficulty.qsg { background: #EDFCF5; color: #2C664A; } .portal-resource-list .resource-tab__item .item-difficulty.training { background: #FCF7ED; color: #735132; } .portal-resource-list .resource-tab__item .item-difficulty { top: 20px; } /*Spectrus JS Page*/ @media print, screen and (min-width: 40em) .site-hero .cell, .page-id-1389 .site-hero .cell { max-width: 680px; text-align: left; margin-top: 32px; } .page-id-1389 .site-hero .cell { max-width: 680px; text-align: left; margin-top: 32px; } .page-id-1389 .site-hero__title { color: #00FFA0; font-size: 24px; line-height: 29px; letter-spacing: 3px; text-align: left; } .page-id-1389 .supported-logos { padding-top: 40px; padding-bottom: 80px; } .page-id-1389 .supported-logos .logos { list-style: none; max-width: 1000px; margin-left: auto; margin-right: auto; display: flex; align-items: center; justify-content: center; flex-wrap: wrap; } .page-id-1389 .supported-logos .logos li { width: 100px; margin: 15px; } .page-id-1389 .supported-logos .link-container { margin-top: 20px; } .page-id-1389 .supported-logos .link-container .arrow-link { display: block; text-decoration: none; }.page-id-1389 .fancy-list li::before, .page-id-1389 .fancy-list li .svg-inline--fa, .page-id-1389 .fancy-list li .svg-inline--fa path{ color: #00B471 !important; } .page-id-1389 .icon-item-row .icon-item img{ height: 60px; width: auto; margin-bottom: 15px; } .page-id-1389 .icon-item-row .icon-item { margin: 15px; display: flex; flex-direction: column; align-items: center; } /*Products Mega Menu*/ .flyout.submenu-1, .site-header.is-opaque .site-bar .site-navigation .sub-menu.submenu-1, .site-header .site-bar .site-navigation .sub-menu.submenu-1 { background-color: #fff; background-image: none; } /*Spectrus Processor*/ .pricing-block .button.green, .comments-area .comment-form .form-submit input[type="submit"], .button--inline-form, .hero--advanced .hero__transform-container .hero__button { background: linear-gradient(to right, #00B471, #00FFA0); border-radius: 2px; font-weight: 800; box-shadow: 0px 16px 24px rgba(106, 110, 244, 0.243098); border: none; line-height: 24px; letter-spacing: 0.8px; text-decoration: none; color: #0a0a0a; } .pricing-block .button.white { background: transparent !important; box-shadow: none; border: solid 1px #fff; color: #fff !important; } .color-lt-green{ color:#00ffa0; } .disclaimer { font-size: .85em; } /*Form Labels */ [type='checkbox'] + label, [type='radio'] + label { display: inline; } /*ChemSketch Freeware*/ .page-id-3441 .demo-cta { position: relative; } .page-id-3441 .demo-cta .background { position: absolute; top: 0; left: 0; width: 100%; height: 100%; background-size: cover; background-position: center; z-index: 0; } .page-id-3441 .demo-cta #gform_wrapper_8 { background: #0a0a0a; position: relative; z-index: 1; margin-top: -50px; margin-bottom: -50px; padding: 40px 20px; } @media print, screen and (min-width: 40em) .page-id-3441 .demo-cta #gform_wrapper_8 { padding: 70px 60px; padding-bottom: 30px; } .page-id-3441 .demo-cta #gform_wrapper_8 .gfield_html { text-align: center; color: #fff; } .page-id-3441 .demo-cta.form-color-purple h3 { color: #A6A9FF; } .page-id-3441 .demo-cta #gform_wrapper_8 .gfield_html h3{ margin-bottom: 12px; } .page-id-3441 .demo-cta #gform_wrapper_8 .gfield_checkbox { margin-bottom: 0px !important; } .page-id-3441 .demo-cta #gform_wrapper_8 .gfield_checkbox label { color: #fff; display: inline; } .page-id-3441 .demo-cta #gform_wrapper_8 .button { margin-top: 22px; display: block; width: 100%; } .page-id-3441 .demo-cta #gform_confirmation_wrapper_8 { background: #0a0a0a; position: relative; z-index: 1; margin-top: -50px; margin-bottom: -50px; padding: 40px 20px; } .page-id-3441 .demo-cta #gform_confirmation_wrapper_8 .gform_confirmation_message { background: none; border: none; } /*Flexible Layouts */ /* Icon Item Row */ .page-template-default .icon-item-row .icon-item { margin: 15px; display: flex; flex-direction: column; align-items: center; } /*Sidebar Content Bullets */ .page-template-default .flexible-sidebar-content .flexible-sidebar ul.fancy-list li .svg-inline--fa path { color: #fff !important; } .page-template-default blockquote { font-size: inherit; padding-left: 30px; padding-right: 30px; } /* Steps Block */ .page-template-default .steps-block .content { padding: 60px 20px; color: #fff; background-size: cover; background-position: center; } @media print, screen and (min-width: 40em) .page-template-default .steps-block .content .content-container { max-width: 22rem; margin-left: auto; margin-right: 2rem; } .page-template-default .steps-block .content .content-container { max-width: 22rem; margin-left: auto; margin-right: 2rem; } @media print, screen and (min-width: 40em) .page-template-default .steps-block .steps .content-container { max-width: 37rem; margin-left: 2rem; margin-right: auto; } .page-template-default .steps-block .steps .content-container { max-width: 37rem; margin-left: 2rem; margin-right: auto; } .page-template-default .steps-block .content-container { height: 100%; display: flex; flex-direction: column; justify-content: center; } .page-template-default .steps-block .steps { padding: 60px 20px; } .page-template-default .steps-block .steps ul { list-style: none; } .page-template-default .steps-block .steps li { position: relative; border-left: solid 1px #6A6EF4; padding-left: 40px; padding-bottom: 40px; padding-top: 10px; color: #fff; margin-bottom: 0px; } .page-template-default .steps-block .steps li .count { position: absolute; width: 40px; height: 40px; border-radius: 50%; background: #6A6EF4; color: #fff; display: flex; align-items: center; justify-content: center; font-weight: bold; left: -20px; top: 0px; } .page-template-default .steps-block .steps li:last-child { padding-bottom: 0px; } .page-template-default .icon-item-row .icon-item img { height: 70px; width: auto; margin-bottom: 15px; } /*Spectrus Processor JS */ #gform_wrapper_35 .gform_footer input[type=submit] { background: linear-gradient(to right, #FFFFFF, #8BAED4); color:#011d2e; } .page-id-13941 .simple-cta .link-container { justify-content: flex-start; } #gform_confirmation_wrapper_35 .gform_confirmation_message { border: none; background: #777bf5; color:#FFFFFF; } @media print, screen and (min-width: 64em) .single-portal-resource .main-content { padding-right: 30px; } .single-portal-resource .main-content { padding-right: 30px; } /* Blog Edits for Mobile */ @media only screen and (max-width: 600px) { /* Display email field as 100% width */ .post-template-default .gform_wrapper.gravity-theme .gfield.gfield--width-half { grid-column: span 12; } /* Hide form on top of Related Posts */ .blog-subscribe-cta { display:none; } /* Display images full width */ .post-template-default img { width:100%; } } /* Blog Edits for all sign-up forms */ .post-template-default .nv-blog-post .grid-container { padding: 0px; } .blog-subscribe-cta{ margin-bottom: 30px; } /*Blog Sign-up Form - ADMS */ .post-template-default .nv-blog-post #gform_28 { display: flex; align-items: center; justify-content: flex-end; } @media only screen and (max-width: 600px) { .post-template-default .nv-blog-post #gform_28 { display: block; } .post-template-default .nv-blog-post #gform_wrapper_28{ width:100%; } .post-template-default .grid-container .gform_wrapper #field_28_1 .ginput_container { width:100%; } } .post-template-default .nv-blog-post #gform_wrapper_28 #field_28_1{ display: flex; align-items: center; justify-content: flex-end; } .post-template-default .nv-blog-post #gform_wrapper_28 { background: #011d2e; padding:20px; color: #FFFFFF; margin-bottom: 20px; } .post-template-default .nv-blog-post #gform_wrapper_28 h4{ color: #FFFFFF; } #gform_wrapper_28 .gform_footer { margin-top: 0px; } #gform_wrapper_28 .gform_footer input[type=submit] { border-radius: 0px 2px 2px 0px; margin-bottom: 0px; border: none; font-weight: bold; background: linear-gradient(99.71deg, #8baed4 14.34%, #6a6ef4 94.18%); height: 47px; } /*Blog Sign-up Form - Sidebar ADMS */ .post-template-default .nv-blog-post .blog-subscribe-cta #gform_28 { display: block; align-items: center; justify-content: flex-end; } .blog-subscribe-cta .grid-container #gform_wrapper_28 #field_28_1 #field_28_4 { display: flex; align-items: center; justify-content: flex-end; } .blog-subscribe-cta #gform_wrapper_28 .gfield.gfield--width-half { grid-column: span 12; } .blog-subscribe-cta .grid-container .gform_wrapper #field_28_1 .ginput_container { width: 100%; } /*Blog Sign-up Form - ChemSketch */ .post-template-default .nv-blog-post #gform_45 { display: flex; align-items: center; justify-content: flex-end; } @media only screen and (max-width: 600px) { .post-template-default .nv-blog-post #gform_45 { display: block; } .post-template-default .nv-blog-post #gform_wrapper_45{ width:100%; } .post-template-default .grid-container .gform_wrapper #field_45_1 .ginput_container { width:100%; } } .post-template-default .nv-blog-post #gform_wrapper_45 #field_45_1{ display: flex; align-items: center; justify-content: flex-end; } .post-template-default .nv-blog-post #gform_wrapper_45 { background: #011d2e; padding:20px; color: #FFFFFF; margin-bottom: 20px; } .post-template-default .nv-blog-post #gform_wrapper_45 h4{ color: #FFFFFF; } #gform_wrapper_45 .gform_footer { margin-top: 0px; } #gform_wrapper_45 .gform_footer input[type=submit] { border-radius: 0px 2px 2px 0px; margin-bottom: 0px; border: none; font-weight: bold; background: linear-gradient(99.71deg, #8baed4 14.34%, #6a6ef4 94.18%); height: 47px; } /*Blog Sign-up Form - Sidebar ChemSketch */ .post-template-default .nv-blog-post .blog-subscribe-cta #gform_45 { display: block; align-items: center; justify-content: flex-end; } .blog-subscribe-cta .grid-container #gform_wrapper_45 #field_45_1 #field_45_4 { display: flex; align-items: center; justify-content: flex-end; } .blog-subscribe-cta #gform_wrapper_45 .gfield.gfield--width-half { grid-column: span 12; } .blog-subscribe-cta .grid-container .gform_wrapper #field_45_1 .ginput_container { width: 100%; } /*Blog Sign-up Form - Chrom*/ .post-template-default .nv-blog-post #gform_42 { display: flex; align-items: center; justify-content: flex-end; } @media only screen and (max-width: 600px) { .post-template-default .nv-blog-post #gform_42 { display: block; } .post-template-default .nv-blog-post #gform_wrapper_42{ width:100%; } .post-template-default .grid-container .gform_wrapper #field_42_1 .ginput_container { width:100%; } } .post-template-default .nv-blog-post #gform_wrapper_42 #field_42_1{ display: flex; align-items: center; justify-content: flex-end; } .post-template-default .nv-blog-post #gform_wrapper_42 { background: #011d2e; padding:20px; color: #FFFFFF; margin-bottom: 20px; } .post-template-default .nv-blog-post #gform_wrapper_42 h4{ color: #FFFFFF; } #gform_wrapper_42 .gform_footer { margin-top: 0px; } #gform_wrapper_42 .gform_footer input[type=submit] { border-radius: 0px 2px 2px 0px; margin-bottom: 0px; border: none; font-weight: bold; background: linear-gradient(99.71deg, #8baed4 14.34%, #6a6ef4 94.18%); height: 47px; } /*Blog Sign-up Form - Sidebar Chrom*/ .post-template-default .nv-blog-post .blog-subscribe-cta #gform_42 { display: block; align-items: center; justify-content: flex-end; } .blog-subscribe-cta .grid-container #gform_wrapper_42 #field_42_1 #field_42_4 { display: flex; align-items: center; justify-content: flex-end; } .blog-subscribe-cta #gform_wrapper_42 .gfield.gfield--width-half { grid-column: span 12; } .blog-subscribe-cta .grid-container .gform_wrapper #field_42_1 .ginput_container { width: 100%; } /*Blog Sign-up Form - Katalyst*/ .post-template-default .nv-blog-post #gform_43 { display: flex; align-items: center; justify-content: flex-end; } @media only screen and (max-width: 600px) { .post-template-default .nv-blog-post #gform_43 { display: block; } .post-template-default .nv-blog-post #gform_wrapper_43{ width:100%; } .post-template-default .grid-container .gform_wrapper #field_43_1 .ginput_container { width:100%; } } .post-template-default .nv-blog-post #gform_wrapper_43 #field_43_1{ display: flex; align-items: center; justify-content: flex-end; } .post-template-default .nv-blog-post #gform_wrapper_43 { background: #011d2e; padding:20px; color: #FFFFFF; margin-bottom: 20px; } .post-template-default .nv-blog-post #gform_wrapper_43 h4{ color: #FFFFFF; } #gform_wrapper_43 .gform_footer { margin-top: 0px; } #gform_wrapper_43 .gform_footer input[type=submit] { border-radius: 0px 2px 2px 0px; margin-bottom: 0px; border: none; font-weight: bold; background: linear-gradient(99.71deg, #8baed4 14.34%, #6a6ef4 94.18%); height: 47px; } /*Blog Sign-up Form - Sidebar Katalyst*/ .post-template-default .nv-blog-post .blog-subscribe-cta #gform_43 { display: block; align-items: center; justify-content: flex-end; } .blog-subscribe-cta .grid-container #gform_wrapper_43 #field_43_1 #field_43_4 { display: flex; align-items: center; justify-content: flex-end; } .blog-subscribe-cta #gform_wrapper_43 .gfield.gfield--width-half { grid-column: span 12; } .blog-subscribe-cta .grid-container .gform_wrapper #field_43_1 .ginput_container { width: 100%; } /*Blog Sign-up Form - Luminata*/ .post-template-default .nv-blog-post #gform_40 { display: flex; align-items: center; justify-content: flex-end; } @media only screen and (max-width: 600px) { .post-template-default .nv-blog-post #gform_40 { display: block; } .post-template-default .nv-blog-post #gform_wrapper_40{ width:100%; } .post-template-default .grid-container .gform_wrapper #field_40_1 .ginput_container { width:100%; } } .post-template-default .nv-blog-post #gform_wrapper_40 #field_40_1{ display: flex; align-items: center; justify-content: flex-end; } .post-template-default .nv-blog-post #gform_wrapper_40 { background: #011d2e; padding:20px; color: #FFFFFF; margin-bottom: 20px; } .post-template-default .nv-blog-post #gform_wrapper_40 h4{ color: #FFFFFF; } #gform_wrapper_40 .gform_footer { margin-top: 0px; } #gform_wrapper_40 .gform_footer input[type=submit] { border-radius: 0px 2px 2px 0px; margin-bottom: 0px; border: none; font-weight: bold; background: linear-gradient(99.71deg, #8baed4 14.34%, #6a6ef4 94.18%); height: 47px; } /*Blog Sign-up Form - Sidebar Luminata*/ .post-template-default .nv-blog-post .blog-subscribe-cta #gform_40 { display: block; align-items: center; justify-content: flex-end; } .blog-subscribe-cta .grid-container #gform_wrapper_40 #field_40_1 #field_40_4 { display: flex; align-items: center; justify-content: flex-end; } .blog-subscribe-cta #gform_wrapper_40 .gfield.gfield--width-half { grid-column: span 12; } .blog-subscribe-cta .grid-container .gform_wrapper #field_40_1 .ginput_container { width: 100%; } /*Blog Sign-up Form - MS */ .post-template-default .nv-blog-post #gform_31 { display: flex; align-items: center; justify-content: flex-end; } @media only screen and (max-width: 600px) { .post-template-default .nv-blog-post #gform_31 { display: block; } .post-template-default .nv-blog-post #gform_wrapper_31 { width:100%; } .post-template-default .grid-container .gform_wrapper #field_31_1 .ginput_container { width:100%; } } .post-template-default .nv-blog-post #gform_wrapper_31 #field_31_1{ display: flex; align-items: center; justify-content: flex-end; } .post-template-default .nv-blog-post #gform_wrapper_31 { background: #011d2e; padding:20px; color: #FFFFFF; margin-bottom: 20px; } .post-template-default .nv-blog-post #gform_wrapper_31 h4{ color: #FFFFFF; } #gform_wrapper_31 .gform_footer { margin-top: 0px; } #gform_wrapper_31 .gform_footer input[type=submit] { border-radius: 0px 2px 2px 0px; margin-bottom: 0px; border: none; font-weight: bold; background: linear-gradient(99.71deg, #8baed4 14.34%, #6a6ef4 94.18%); height: 47px; } /*Blog Sign-up Form - Sidebar MS */ .post-template-default .nv-blog-post .blog-subscribe-cta #gform_31 { display: block; align-items: center; justify-content: flex-end; } .blog-subscribe-cta .grid-container #gform_wrapper_31 #field_31_1 #field_31_4 { display: flex; align-items: center; justify-content: flex-end; } .blog-subscribe-cta #gform_wrapper_31 .gfield.gfield--width-half { grid-column: span 12; } .blog-subscribe-cta .grid-container .gform_wrapper #field_31_1 .ginput_container { width: 100%; } /*Blog Sign-up Form - NMR*/ .post-template-default .nv-blog-post #gform_44 { display: flex; align-items: center; justify-content: flex-end; } @media only screen and (max-width: 600px) { .post-template-default .nv-blog-post #gform_44 { display: block; } .post-template-default .nv-blog-post #gform_wrapper_44 { width:100%; } .post-template-default .grid-container .gform_wrapper #field_44_1 .ginput_container { width:100%; } } .post-template-default .nv-blog-post #gform_wrapper_44 #field_44_1{ display: flex; align-items: center; justify-content: flex-end; } .post-template-default .nv-blog-post #gform_wrapper_44 { background: #011d2e; padding:20px; color: #FFFFFF; margin-bottom: 20px; } .post-template-default .nv-blog-post #gform_wrapper_44 h4{ color: #FFFFFF; } #gform_wrapper_44 .gform_footer { margin-top: 0px; } #gform_wrapper_44 .gform_footer input[type=submit] { border-radius: 0px 2px 2px 0px; margin-bottom: 0px; border: none; font-weight: bold; background: linear-gradient(99.71deg, #8baed4 14.34%, #6a6ef4 94.18%); height: 47px; } /*Blog Sign-up Form - Sidebar NMR*/ .post-template-default .nv-blog-post .blog-subscribe-cta #gform_44 { display: block; align-items: center; justify-content: flex-end; } .blog-subscribe-cta .grid-container #gform_wrapper_44 #field_44_1 #field_44_4 { display: flex; align-items: center; justify-content: flex-end; } .blog-subscribe-cta #gform_wrapper_44 .gfield.gfield--width-half { grid-column: span 12; } .blog-subscribe-cta .grid-container .gform_wrapper #field_44_1 .ginput_container { width: 100%; } /*Blog Sign-up Form - Percepta*/ .post-template-default .nv-blog-post #gform_78 { display: flex; align-items: center; justify-content: flex-end; } @media only screen and (max-width: 600px) { .post-template-default .nv-blog-post #gform_78 { display: block; } .post-template-default .nv-blog-post #gform_wrapper_78 { width:100%; } .post-template-default .grid-container .gform_wrapper #field_78_1 .ginput_container { width:100%; } } .post-template-default .nv-blog-post #gform_wrapper_78 #field_78_1{ display: flex; align-items: center; justify-content: flex-end; } .post-template-default .nv-blog-post #gform_wrapper_78 { background: #011d2e; padding:20px; color: #FFFFFF; margin-bottom: 20px; } .post-template-default .nv-blog-post #gform_wrapper_78 h4{ color: #FFFFFF; } #gform_wrapper_78 .gform_footer { margin-top: 0px; } #gform_wrapper_78 .gform_footer input[type=submit] { border-radius: 0px 2px 2px 0px; margin-bottom: 0px; border: none; font-weight: bold; background: linear-gradient(99.71deg, #8baed4 14.34%, #6a6ef4 94.18%); height: 47px; } /*Blog Sign-up Form - Sidebar Percepta*/ .post-template-default .nv-blog-post .blog-subscribe-cta #gform_78 { display: block; align-items: center; justify-content: flex-end; } .blog-subscribe-cta .grid-container #gform_wrapper_78 #field_78_1 #field_78_4 { display: flex; align-items: center; justify-content: flex-end; } .blog-subscribe-cta #gform_wrapper_78 .gfield.gfield--width-half { grid-column: span 12; } .blog-subscribe-cta .grid-container .gform_wrapper #field_78_1 .ginput_container { width: 100%; } /*Blog Sign-up Form - Verification*/ .post-template-default .nv-blog-post #gform_63 { display: flex; align-items: center; justify-content: flex-end; } @media only screen and (max-width: 600px) { .post-template-default .nv-blog-post #gform_63 { display: block; } .post-template-default .nv-blog-post #gform_wrapper_63 { width:100%; } .post-template-default .grid-container .gform_wrapper #field_63_1 .ginput_container { width:100%; } } .post-template-default .nv-blog-post #gform_wrapper_63 #field_63_1{ display: flex; align-items: center; justify-content: flex-end; } .post-template-default .nv-blog-post #gform_wrapper_63 { background: #011d2e; padding:20px; color: #FFFFFF; margin-bottom: 20px; } .post-template-default .nv-blog-post #gform_wrapper_63 h4{ color: #FFFFFF; } #gform_wrapper_63 .gform_footer { margin-top: 0px; } #gform_wrapper_63 .gform_footer input[type=submit] { border-radius: 0px 2px 2px 0px; margin-bottom: 0px; border: none; font-weight: bold; background: linear-gradient(99.71deg, #8baed4 14.34%, #6a6ef4 94.18%); height: 47px; } /*Blog Sign-up Form - Sidebar Verification*/ .post-template-default .nv-blog-post .blog-subscribe-cta #gform_63 { display: block; align-items: center; justify-content: flex-end; } .blog-subscribe-cta .grid-container #gform_wrapper_63 #field_63_1 #field_63_4 { display: flex; align-items: center; justify-content: flex-end; } .blog-subscribe-cta #gform_wrapper_63 .gfield.gfield--width-half { grid-column: span 12; } .blog-subscribe-cta .grid-container .gform_wrapper #field_63_1 .ginput_container { width: 100%; } /*Blog Sign-up Form - Newsletter*/ .post-template-default .nv-blog-post #gform_2 { display: flex; align-items: center; justify-content: flex-end; } @media only screen and (max-width: 600px) { .post-template-default .nv-blog-post #gform_2 { display: block; } .post-template-default .nv-blog-post #gform_wrapper_2 { width:100%; } .post-template-default .grid-container .gform_wrapper #field_2_1 .ginput_container { width:100%; } } .post-template-default .nv-blog-post #gform_wrapper_2 #field_2_2{ display: flex; align-items: center; justify-content: flex-end; } .post-template-default .nv-blog-post #gform_wrapper_2 { background: #011d2e; padding:20px; color: #FFFFFF; margin-bottom: 20px; } .post-template-default .nv-blog-post #gform_wrapper_2 h4{ color: #FFFFFF; } #gform_wrapper_2 .gform_footer { margin-top: 0px; } #gform_wrapper_2 .gform_footer input[type=submit] { border-radius: 0px 2px 2px 0px; margin-bottom: 0px; border: none; font-weight: bold; background: linear-gradient(99.71deg, #8baed4 14.34%, #6a6ef4 94.18%); height: 47px; } /*Blog Sign-up Form - Sidebar Newsletter*/ .post-template-default .nv-blog-post .blog-subscribe-cta #gform_2 { display: block; align-items: center; justify-content: flex-end; } .blog-subscribe-cta .grid-container #gform_wrapper_2 #field_2_2 #field_2_1 { display: flex; align-items: center; justify-content: flex-end; } .blog-subscribe-cta #gform_wrapper_2 .gfield.gfield--width-half { grid-column: span 12; } .blog-subscribe-cta .grid-container .gform_wrapper #field_2_2 .ginput_container { width: 100%; } /*Remove bullet from AutoChrom table */ #autochrom_modal.reveal .slick-slide table td:not(.heading):before { content: ''; position: absolute; top: 0px; left: 0px; } /* Add background color to header row */ #autochrom_modal.reveal .slick-slide table th.heading { color: #FFFFFF !important; font-size: 20px !important; text-align: center !important; background-color: #00B471 !important } /* Add background color to tabs to distinguish them @media screen and (min-width: 768px) .simple-tab .tabs.converted-tab li a.selected { background-color: #00B471; }*/ /* START Marek Logo Updates */ body .site-branding__logo img, body .site-branding__logo svg, body .site-branding__alt-logo img, body .site-branding__alt-logo svg { width: 225px !important; height: auto !important; max-width: 100%; } body .site-header .site-bar .site-navigation .layer-2 ul.main-nav .top-link { padding-right: 8px; } body .site-header .site-bar .site-navigation .layer-2 ul.main-nav .menu-item.has-children .top-link svg { font-size: 11px; margin-left: 0; } body .site-header.transparent.is-opaque .site-branding__alt-logo { display: flex; align-items: center; justify-content: flex-start; } body .site-header.site-header .site-bar .site-navigation .layer-2 ul.main-nav .top-link { font-size: 13px; font-weight: 600; } body .layer-1 a:not(.login):not(.register) { font-weight: 700; } body .site-header a { -webkit-font-smoothing: antialiased; } /* END Marek Logo Updates */ .widecolumn { margin: 0 auto 600px; text-align: center; padding: 100px 15px 0; max-height: 1200px; } .reveal{ transition: 0s; } /* Scroll up for bookmarks on Symposium page */ #day1 { scroll-margin-top: 120px; } #day2 { scroll-margin-top: 120px; } #register { scroll-margin-top: 120px; } #posters { scroll-margin-top: 120px; } #symposium { scroll-margin-top: 120px; } #refer { scroll-margin-top: 200px; } #percepta { scroll-margin-top:500px; } /* flexible Event Agenda */ .page-template-default .symposium-agenda { background: #F1F5FA; padding: 50px 0; padding-bottom: 100px; } .page-template-default .symposium-agenda .agenda-block { padding: 0px 40px; width: 100%; max-width: 996px; margin: auto; margin-top: 30px; background: #fff; border-top: solid 4px #6A6EF4; border-radius: 4px; box-shadow: 0px 5px 18px 0px rgba(106, 110, 244, 0.3); overflow: hidden; position: relative; height: auto !important; } .page-template-default .symposium-agenda .agenda-block__item { padding: 25px 0px; border-bottom: 1px solid rgba(118, 118, 118, 0.1); } .page-template-default .symposium-agenda .agenda-block__item .time-frame { color: #6A6EF4; } .page-template-default .symposium-agenda .agenda-block__item .item-title { color: #0067A6; font-size: 16px; line-height: 24px; } .page-template-default .speaker { display: flex; align-items: center; margin-bottom: 16px; padding-right: 16px; line-height: 1.2; } .page-template-default .speaker .headshot { display: block; width: 65px; height: 65px; border-radius: 50%; overflow: hidden; background: #f1f1f1; background-size: cover; background-position: center; margin-right: 14px; flex: 0 0 67px; } .page-template-default .webinar-single-hosts { background: #F1F5FA; padding: 50px 0; padding-bottom: 100px; } .page-template-default .webinar-single-hosts h5 { margin-bottom: 45px; } .page-template-default .webinar-single-hosts .speaker { align-items: flex-start; } .page-template-default .speaker div { width: 100%; } .page-template-default .event-meta { flex-wrap: wrap; margin-top: 16px; margin-bottom: 20px; display:block; } @media print, screen and (min-width: 64em) .page-template-default .symposium-agenda { padding: 70px 0; padding-bottom: 100px; } .webinar-single-hosts { padding: 70px 0; padding-bottom: 100px; } #gform_wrapper_74 .gfield_label { color: #FFFFFF; } /* Blog Heading 5 */ .single-post .single-entry__content h5 { color: #0067A6; font-style: italic; } /* Discount Code Coupon Box */ .woocommerce #content table.cart td.actions .input-text, .woocommerce table.cart td.actions .input-text, .woocommerce-page #content table.cart td.actions .input-text, .woocommerce-page table.cart td.actions .input-text { width:150px; } .disclaimer #content p { padding: 20px 0; } /* Registration form on Webinar Resource page */ #gform_wrapper_96{ background: #001D2E; position: relative; z-index: 1; padding: 40px 20px; @include breakpoint(medium){ padding: 50px; padding-bottom: 30px; } .gfield_html{ text-align: center; color: #fff; h3{ margin-bottom: 12px; color: #A6A9FF; } } .gchoice label { color: #fff; margin-right: 0px; } .gfield_checkbox{ margin-bottom: 0px; } .button{ margin-top: 0px; display: block; width: 100%; } input, select{ color: #767676; font-weight: bold; } input[type="submit"]{ color: #fff; } } /* Event Agenda on Resource Pages */ .single-resources .symposium-agenda { background: #F1F5FA; padding: 50px 0; padding-bottom: 100px; } .single-resources .symposium-agenda .agenda-block { padding: 0px 40px; width: 100%; max-width: 996px; margin: auto; margin-top: 30px; background: #fff; border-top: solid 4px #6A6EF4; border-radius: 4px; box-shadow: 0px 5px 18px 0px rgba(106, 110, 244, 0.3); overflow: hidden; position: relative; } .single-resources .symposium-agenda .agenda-block__item { padding: 25px 0px; border-bottom: 1px solid rgba(118, 118, 118, 0.1); } .single-resources .symposium-agenda .agenda-block__item .item-title { color: #0067A6; font-size: 16px; line-height: 24px; } .single-resources .speaker { display: flex; align-items: center; margin-bottom: 16px; padding-right: 16px; line-height: 1.2; } .single-resources .speaker .headshot { display: block; width: 65px; height: 65px; border-radius: 50%; overflow: hidden; background: #f1f1f1; background-size: cover; background-position: center; margin-right: 14px; flex: 0 0 67px; } .single-resources .webinar-single-hosts { background: #F1F5FA; padding: 50px 0; padding-bottom: 100px; } .single-events .webinar-single-hosts h5 { margin-bottom: 45px; } .single-events .webinar-single-hosts .speaker { align-items: flex-start; } .single-events .speaker { display: flex; align-items: center; margin-bottom: 16px; padding-right: 16px; line-height: 1.2; } .single-resources .related-events { padding-top: 80px; } @media print, screen and (min-width: 64em) { .single-resources .symposium-agenda { padding: 70px 0; padding-bottom: 100px; } } @media print, screen and (min-width: 64em) { .single-resources .webinar-single-hosts { padding: 70px 0; padding-bottom: 100px; } } @media print, screen and (min-width: 64em) { .single-resources .related-events { padding-top: 110px; } } /* Resource Flexible Layouts */ /* Icon Item Row */ .single-resources .icon-item-row .icon-item { margin: 15px; display: flex; flex-direction: column; align-items: center; } .single-resources .icon-item-row .icon-item img { height: 70px; width: auto; margin-bottom: 15px; } .single-resources blockquote { font-size: inherit; padding-left: 30px; padding-right: 30px; } /*Sidebar Content Bullets */ .single-resources .flexible-sidebar-content .flexible-sidebar ul.fancy-list li .svg-inline--fa path { color: #fff !important; } /* Steps Block */ .single-resources .steps-block .content { padding: 60px 20px; color: #fff; background-size: cover; background-position: center; } @media print, screen and (min-width: 40em) .single-resources .steps-block .content .content-container { max-width: 22rem; margin-left: auto; margin-right: 2rem; } .single-resources .steps-block 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class="grid-x grid-padding-x"> <div class="cell"> <h5 style="color: #fff; margin-bottom: 22px;">Current Software Versions</h5> <h1 class="site-hero__title">What's New in PhysChem Suite Version 2024</h1> </div> </div> </div> </section>  <div id="content-area" class="content-area">  <section class=" editor-component wysiwyg-content-styles padding " > <div class="grid-container"> <div class="grid-x align-center"> <div class="cell medium-10 large-8 "> <p style="text-align: center;">Version 2024 of PhysChem Suite introduces dramatic enhancements in the prediction accuracy for pK<sub>a</sub>, log<em>P</em>, and log<em>D</em>, as well as related pH profile of aqueous solubility and ADME endpoints such as absorption, bioavailability, and blood-brain barrier penetration, as a result of thorough algorithm improvement paired with significant expansion of the training sets. Read below for details, and <a href="https://www.acdlabs.com/contact-us/">contact us</a> for help upgrading your software.</p> </div> </div> </div> </section> <section class="flexible-vertical-tabs" > <div class="grid-container"> <div class="grid-x"> <div class="cell tab-container"> <div class="grid-x"> <div class="cell large-4"> <ul class="vertical tabs" data-tabs id="flexible-tabs-M7i5CTEc"> <li class="tabs-title is-active selected"> <a href="#panel_M7i5CTEc_1" aria-selected="true"> Highlighted Features </a> </li> <li class="tabs-title "> <a href="#panel_M7i5CTEc_2" > Improvements in pK<sub>a</sub> </a> </li> <li class="tabs-title "> <a href="#panel_M7i5CTEc_3" > Improvements in Log<em>P</em> </a> </li> <li class="tabs-title "> <a href="#panel_M7i5CTEc_4" > Improvements in Log<em>D</em> </a> </li> <li class="tabs-title "> <a href="#panel_M7i5CTEc_5" > Improved Features </a> </li> </ul> </div> <div class="cell large-8"> <div class="tabs-content vertical" data-tabs-content="flexible-tabs-M7i5CTEc"> <div class="tabs-panel is-active" id="panel_M7i5CTEc_1"> <ul class="fancy-list"> <li>Significant revisions and improvements to the pK<sub>a</sub>, log<em>P</em>, and log<em>D</em> algorithms and equations with particular focus on complex heterocycles and novel therapeutic modalities (PROTACs)</li> <li>Further significant enhancements to the pK<sub>a</sub> Classic algorithm, building upon the previously released improvements, including the addition of more than 5000 experimental pK<sub>a</sub> values from diverse chemical space, including aromatic and aliphatic heterocycles</li> <li>Log<em>P</em> GALAS training set of experimental values has been increased by 25% (~4750 new experimental log<em>P</em> values) after careful curation, reinterpretation, and verification of new data. This adds exciting accuracy improvements for the varied and diverse chemical classes.</li> <li>Technical improvements to the log<em>D</em> algorithm, in addition to enhanced accuracy prediction as a result of improved log<em>P</em> and pK<sub>a</sub> predictors</li> </ul> </div> <div class="tabs-panel " id="panel_M7i5CTEc_2"> <p>You can expect greatly improved accuracy of pK<sub>a</sub> calculations due to a significant expansion of the algorithm training sets, with several diverse chemical datasets. We have developed novel algorithms and deeply revisited models for specific classes. Data quality and chemical diversity guide our training efforts for each release. Through our own research, and ongoing partnership initiatives, our algorithm training expands covered chemical space, and allows us to enrich, curate, and prioritize historically available training data, for better predictive performance.</p> <p>After the addition of new datasets, the full ACD/Labs pK<sub>a</sub> training data set presently contains ~26,000 compounds with more than 42,000 experimental pK<sub>a</sub> values. It should be noted that not all compounds and pK<sub>a</sub> values are always used for algorithmic Hammet equations or pK<sub>a0</sub> values. However, with new datasets available, previously unused “old” data can be used for new algorithm improvements.</p> <p>The improvements in the pK<sub>a</sub> prediction accuracy using the historically renown BioByte Master file from v2022 to v2024 are shown in the table below:</p> <table> <tbody> <tr> <td width="51"></td> <td width="147">Number of predicted pK<sub>a</sub> values</td> <td width="132">Average prediction accuracy</td> </tr> <tr> <td width="51">v2022</td> <td width="147">12,224</td> <td width="132">0.419</td> </tr> <tr> <td width="51">v2023</td> <td width="147">12,421</td> <td width="132">0.412</td> </tr> <tr> <td width="51">v2024</td> <td width="147">12,458</td> <td width="132">0.395</td> </tr> </tbody> </table> <h4 class="color-primary">Improved pK<sub>a</sub> Prediction Accuracy for Expanded Pharmaceutical Space</h4> <p>You can have greater trust in the accuracy and reliability of pK<sub>a</sub> calculations from a significant expansion of the pK<sub>a</sub> Classic algorithm training set. A brand-name pharmaceutical company has provided data for over 1100 compounds with more than 2200 pK<sub>a</sub> values for this project. The dataset contained exciting modern compounds and members of chemical classes underrepresented in previous versions of our software. Collaborative efforts allowed us to improve prediction accuracy for this chemistry, which has resulted in overall improvement of pK<sub>a</sub> predictions for current and future users of the software. The linear scatter plots below present the comparison of experimental versus predicted pK<sub>a</sub>, before and after training (v2023 versus v2024) for the new data set provided by the pharmaceutical company. The average error of prediction is significantly lower in v2024 (0.27 log units vs. 0.76 log units in v2023, and R<sup>2</sup> is closer to 1 (0.98 vs. 0.86 in v2023).</p> <p><img fetchpriority="high" decoding="async" class="size-full wp-image-18038 aligncenter" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_01a.png" alt="" width="490" height="295" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_01a.png?w=490&quality=80&ssl=1 490w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_01a.png?resize=300%2C181&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_01a.png?resize=150%2C90&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_01a.png?resize=370%2C223&quality=80&ssl=1 370w" sizes="(max-width: 490px) 100vw, 490px" /> <img decoding="async" class="size-full wp-image-18039 aligncenter" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_01b.png" alt="" width="494" height="298" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_01b.png?w=494&quality=80&ssl=1 494w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_01b.png?resize=300%2C181&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_01b.png?resize=150%2C90&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_01b.png?resize=370%2C223&quality=80&ssl=1 370w" sizes="(max-width: 494px) 100vw, 494px" /></p> <p><em>Linear </em><em>regression plots demonstrate the improved correlation between experimental and predicted pK<sub>a</sub> (pK<sub>a</sub> Classic algorithm) for 2200 ionization centers from v2023 to v2024.</em></p> <p>Training of the algorithm resulted in significant improvements in prediction accuracy for these 1100 novel pharmaceutical compounds, with more ionization centres calculated using v2024 (2262 vs. 2248 in v2023). 84% of pK<sub>a</sub> values for these compounds are now predicted within 0.5 log units (99% within 1 log unit). This compares to 47% within 0.5 log units (72% within 1 log unit) in v2023.</p> <p><img decoding="async" class="size-full wp-image-18053 aligncenter" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_02.png" alt="What's New PhysChem Suite - Improvement in prediction accuracy" width="577" height="343" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_02.png?w=577&quality=80&ssl=1 577w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_02.png?resize=300%2C178&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_02.png?resize=150%2C89&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_02.png?resize=370%2C220&quality=80&ssl=1 370w" sizes="(max-width: 577px) 100vw, 577px" /></p> <p><em>Improvement in prediction accuracy (pK<sub>a </sub>Classic algorithm) for 2200 ionization centers in 1100 pharmaceutical compounds in v2024.</em></p> <h4 class="color-primary">Enhanced pK<sub>a</sub> Prediction Accuracy for Diverse Chemical Compounds</h4> <p>You can now expect significant improvement in the prediction accuracy of pK<sub>a</sub> for compounds belonging to diverse chemical classes, such as aromatic and aliphatic heterocycles which were previously underrepresented in our training sets. Working with publicly available data sources, and a government organization, we have augmented a training dataset using opensource data with 3150 curated ionization centers from 2500 chemical compounds.</p> <p><img loading="lazy" decoding="async" class="size-full wp-image-18054 aligncenter" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_03a.png" alt="" width="484" height="284" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_03a.png?w=484&quality=80&ssl=1 484w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_03a.png?resize=300%2C176&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_03a.png?resize=150%2C88&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_03a.png?resize=370%2C217&quality=80&ssl=1 370w" sizes="(max-width: 484px) 100vw, 484px" /><img loading="lazy" decoding="async" class="size-full wp-image-18055 aligncenter" style="font-size: 1rem;" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_03b.png" alt="" width="487" height="284" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_03b.png?w=487&quality=80&ssl=1 487w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_03b.png?resize=300%2C175&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_03b.png?resize=150%2C87&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_03b.png?resize=370%2C216&quality=80&ssl=1 370w" sizes="(max-width: 487px) 100vw, 487px" /><img loading="lazy" decoding="async" class="size-full wp-image-18056 aligncenter" style="font-size: inherit;" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_03c.png" alt="What's New PhysChem Suite - comparison of experimental vs. predicted pKa v2024" width="484" height="284" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_03c.png?w=484&quality=80&ssl=1 484w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_03c.png?resize=300%2C176&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_03c.png?resize=150%2C88&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_03c.png?resize=370%2C217&quality=80&ssl=1 370w" sizes="(max-width: 484px) 100vw, 484px" /><span style="font-size: inherit;"> </span></p> <p><em>The linear scatter plots below show the comparison of experimental vs. predicted pK<sub>a</sub>, before and after training. The average error of prediction is significantly lower in v2024 (0.43 log units vs. 0.61 log units in v2023 and 0.88 in v2022), and R<sup>2</sup> is closer to 1 (0.98 versus 0.93 in v2023 and 0.83 in v2022).</em></p> <p>Training of the algorithm resulted in significant improvements in prediction accuracy for these 2500 compounds, with more ionization centres calculated using v2024 (3158 vs. 3023 in v2023). 68% of pK<sub>a</sub> values for these compounds are now predicted within 0.5 log units (91% within 1 log unit). This compares to 58% within 0.5 log units (81% within 1 log unit) in v2023, and to 48% within 0.5 log units (70% within 1 log unit) in v2022.</p> <p><img loading="lazy" decoding="async" class="size-full wp-image-18057 aligncenter" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_04.png" alt="What's New PhysChem Suite - Improvement in prediction accuracy" width="590" height="391" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_04.png?w=590&quality=80&ssl=1 590w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_04.png?resize=300%2C199&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_04.png?resize=150%2C99&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_04.png?resize=344%2C228&quality=80&ssl=1 344w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_04.png?resize=370%2C245&quality=80&ssl=1 370w" sizes="(max-width: 590px) 100vw, 590px" /></p> <p><em>Improvement in prediction accuracy for 3150 ionization centers in 2500 compounds in v2024.</em></p> <h4 class="color-primary">Enhanced Prediction for Novel Therapeutic Modalities of High Interest</h4> <p>You can now expect improved pK<sub>a</sub> predictions for PROTACs (Proteolysis Targeting Chimeric Molecules). We have collected data on PROTACs and their precursors with measured experimental pK<sub>a</sub> values that originated from both our industry collaborators and public sources.</p> <p>PROTACs are composite molecules designed to attenuate function of specific proteins by binding to the target protein and inducing its degradation by intracellular ubiquitin-proteasome system. Structurally, PROTACs are heterobifunctional molecules, composed of two small molecular ligands connected by a covalent linker (one ligand is responsible for recognition of the target protein, another for the recruitment of ubiquitin E3 ligase, initiating the degradation pathway). Overall, this results in larger molecules that fall beyond the traditional Rule-of-five governed chemical space and therefore may prove challenging for various property prediction algorithms.</p> <p>Two comparisons below present the results of the enhanced prediction between v2023 and v2024.</p> <h5 class="color-primary">Publication Comparison</h5> <p>We have reviewed data from a 2022 publication, <a href="https://pubs.rsc.org/en/content/articlehtml/2022/ra/d2ra03761k">PROTACs bearing piperazine-containing linkers: what effect on their protonation state?</a>, which contained 34 PROTACs bearing piperazine-containing linkers, as well as their precursors, with 49 experimental pK<sub>a</sub> values.</p> <p>The linear scatter plots below show the comparison of experimental versus predicted pK<sub>a</sub> of this data, for version 2023 and the new version 2024. The average error of prediction is lower in v2024 (0.30 log units vs. 0.42 log units in v2023).</p> <p><img loading="lazy" decoding="async" class="size-full wp-image-18058 aligncenter" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_05a.png" alt="What's New PhysChem Suite - improved correlation between experimental and predicted pKa v2024" width="553" height="332" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_05a.png?w=553&quality=80&ssl=1 553w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_05a.png?resize=300%2C180&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_05a.png?resize=150%2C90&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_05a.png?resize=370%2C222&quality=80&ssl=1 370w" sizes="(max-width: 553px) 100vw, 553px" /><img loading="lazy" decoding="async" class="size-full wp-image-18059 aligncenter" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_05b.png" alt="What's New PhysChem Suite - improved correlation between experimental and predicted pKa v2024" width="550" height="331" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_05b.png?w=550&quality=80&ssl=1 550w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_05b.png?resize=300%2C181&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_05b.png?resize=150%2C90&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_05b.png?resize=370%2C223&quality=80&ssl=1 370w" sizes="(max-width: 550px) 100vw, 550px" /></p> <p><em>Linear regression plots demonstrate the improved correlation between experimental and predicted pK<sub>a</sub> values for 49 ionization centres of PROTACs reviewed in the publication</em></p> <p>Examples of PROTACs and the comparable predicted pK<sub>a</sub> values from v2024</p> <table> <tbody> <tr> <td colspan="2"><img loading="lazy" decoding="async" class="alignleft size-full wp-image-18060" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_06a.png" alt="What's New PhysChem Suite - PROTACS" width="505" height="222" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_06a.png?w=505&quality=80&ssl=1 505w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_06a.png?resize=300%2C132&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_06a.png?resize=150%2C66&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_06a.png?resize=370%2C163&quality=80&ssl=1 370w" sizes="(max-width: 505px) 100vw, 505px" /></td> <td colspan="2"><img loading="lazy" decoding="async" class="alignleft size-full wp-image-18061" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_06b.png" alt="What's New PhysChem Suite - PROTACS" width="497" height="215" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_06b.png?w=497&quality=80&ssl=1 497w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_06b.png?resize=300%2C130&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_06b.png?resize=150%2C65&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_06b.png?resize=370%2C160&quality=80&ssl=1 370w" sizes="(max-width: 497px) 100vw, 497px" /></td> </tr> <tr> <td><strong>Exp. pK<sub>a</sub></strong></td> <td><strong>Pred. pK<sub>a</sub> v2024</strong></td> <td><strong>Exp. pK<sub>a</sub></strong></td> <td><strong>Pred. pK<sub>a</sub> v2024</strong></td> </tr> <tr> <td>2.74</td> <td>2.90</td> <td>4.69</td> <td>3.85</td> </tr> <tr> <td>6.27</td> <td>6.02</td> <td>7.98</td> <td>7.82</td> </tr> </tbody> </table> <h5></h5> <h5 class="color-primary">Overall PROTAC Assessment</h5> <p>The linear scatter plots below show the comparison of experimental vs. predicted pK<sub>a</sub>, for v2023 and v2024 for a dataset of 253 PROTAC molecules with 491 ionization centers. The average error of prediction is significantly lower in v2024 (0.28 log units vs. 0.52 log units in v2023).</p> <p><img loading="lazy" decoding="async" class="size-full wp-image-18063 aligncenter" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_07b.png" alt="What's New PhysChem Suite - improved correlation between experimental and predicted pKa v2023" width="526" height="318" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_07b.png?w=526&quality=80&ssl=1 526w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_07b.png?resize=300%2C181&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_07b.png?resize=150%2C91&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_07b.png?resize=370%2C224&quality=80&ssl=1 370w" sizes="(max-width: 526px) 100vw, 526px" /><img loading="lazy" decoding="async" class="size-full wp-image-18062 aligncenter" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_07a.png" alt="What's New PhysChem Suite - improved correlation between experimental and predicted pKa v2024" width="527" height="318" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_07a.png?w=527&quality=80&ssl=1 527w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_07a.png?resize=300%2C181&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_07a.png?resize=150%2C91&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_07a.png?resize=370%2C223&quality=80&ssl=1 370w" sizes="(max-width: 527px) 100vw, 527px" /></p> <p><em>Linear regression plots demonstrate the improved correlation between experimental and predicted pK<sub>a</sub> for 491 ionization centers from v2023 to v2024.</em></p> </div> <div class="tabs-panel " id="panel_M7i5CTEc_3"> <h4 class="color-primary">Improved Accuracy of the Log<em>P</em> GALAS and Resulting Log<em>P</em> Consensus Algorithms</h4> <p>You can have greater trust in the calculations from a significant expansion of the log<em>P</em> GALAS algorithm training set. For the most part, the newly collected data represents log<em>D</em><sub>7.4</sub> values that have been back-calculated to log<em>P</em> using the ACD/pK<sub>a</sub> Classic algorithm (which features improvements to minimize uncertainty related to evaluation of the compound’s ionization state).</p> <p>Improvements include:</p> <ul class="fancy-list"> <li>Inclusion of ~4750 new experimental values</li> <li>Increase in the number of entries to more than 22,000 (>25% increase in entries overall)</li> <li>Addition of series of compounds with novel scaffolds and varying substituents, such as heterocycles and functional groups which are usually seen as challenging to source and predict</li> <li>Improved prediction accuracy of high MW compounds, such as PROTACs</li> </ul> <p>The improvements in calculation accuracy are available with both ACD/Log<em>P</em> GALAS and ACD/Log<em>P</em> Consensus algorithms utilizing the new Log<em>P</em> v. 1.4 built-in self-training library.</p> <p>The linear regression scatter plots below show the comparison of experimental vs. predicted log<em>P</em> values for newly acquired compounds, before and after the training.</p> <p><img loading="lazy" decoding="async" class="size-full wp-image-18064 aligncenter" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_08a.png" alt="What's New PhysChem Suite - improved correlation between experimental and predicted logP v2023" width="564" height="367" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_08a.png?w=564&quality=80&ssl=1 564w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_08a.png?resize=300%2C195&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_08a.png?resize=150%2C98&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_08a.png?resize=350%2C228&quality=80&ssl=1 350w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_08a.png?resize=370%2C241&quality=80&ssl=1 370w" sizes="(max-width: 564px) 100vw, 564px" /><img loading="lazy" decoding="async" class="size-full wp-image-18065 aligncenter" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_08b.png" alt="What's New PhysChem Suite - improved correlation between experimental and predicted logP v2024" width="564" height="369" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_08b.png?w=564&quality=80&ssl=1 564w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_08b.png?resize=300%2C196&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_08b.png?resize=150%2C98&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_08b.png?resize=348%2C228&quality=80&ssl=1 348w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_08b.png?resize=370%2C242&quality=80&ssl=1 370w" sizes="(max-width: 564px) 100vw, 564px" /></p> <p><em>Linear regression plots demonstrate the improved correlation between experimental and predicted logP values for ~4750 compounds from v2023 to v2024.</em></p> <p>Examples of PROTACs and the comparable predicted log<em>P</em> values from v2024 and v2023.</p> <table> <tbody> <tr> <td colspan="3"><img loading="lazy" decoding="async" class="alignleft size-full wp-image-18066" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_09a.png" alt="What's New PhysChem Suite - PROTACs LogP" width="473" height="240" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_09a.png?w=473&quality=80&ssl=1 473w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_09a.png?resize=300%2C152&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_09a.png?resize=150%2C76&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_09a.png?resize=370%2C188&quality=80&ssl=1 370w" sizes="(max-width: 473px) 100vw, 473px" /></td> <td colspan="3"><img loading="lazy" decoding="async" class="alignleft size-full wp-image-18067" src="https://www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_09b.png" alt="" width="469" height="249" srcset="https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_09b.png?w=469&quality=80&ssl=1 469w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_09b.png?resize=300%2C159&quality=80&ssl=1 300w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_09b.png?resize=150%2C80&quality=80&ssl=1 150w, https://i0.wp.com/www.acdlabs.com/wp-content/uploads/2024/08/wn24_physchem_09b.png?resize=370%2C196&quality=80&ssl=1 370w" sizes="(max-width: 469px) 100vw, 469px" /></td> </tr> <tr> <td><strong>Exp. Log<em>P</em></strong></td> <td><strong>Pred. v2023</strong></td> <td><strong>Pred. v2024</strong></td> <td><strong>Exp. LogP</strong></td> <td><strong>Pred. v2023</strong></td> <td><strong>Pred. v2024</strong></td> </tr> <tr> <td>4.23</td> <td>5.68</td> <td>4.44</td> <td>4.21</td> <td>2.81</td> <td>3.87</td> </tr> <tr> <td>Reliability index</td> <td>0.44 (Borderline)</td> <td>0.86<br /> (High)</td> <td>Reliability Index</td> <td>0.49 (Borderline)</td> <td>0.75<br /> (High)</td> </tr> </tbody> </table> </div> <div class="tabs-panel " id="panel_M7i5CTEc_4"> <h4 class="color-primary">Predict Log<em>D</em> More Accurately</h4> <ul class="fancy-list"> <li>You can now expect greater accuracy for these calculations due to several technical improvements to the algorithm, including enhancements to the normalization procedure <ul> <li>Inaccuracies between the simulated log<em>D</em> pH curves and the plot expected from the compound’s apparent pK<sub>a</sub> profile have been resolved</li> </ul> </li> <li>Starting from the current release, the shape of the simulated log<em>D </em> pH curve will closely match the shape expected from the compound’s apparent pK<sub>a</sub> values</li> <li>You can have greater trust in the accuracy of log<em>D</em> predictions and water solubility pH profile due to improvements in the pK<sub>a</sub> and log<em>P</em> algorithms</li> </ul> </div> <div class="tabs-panel " id="panel_M7i5CTEc_5"> <h4 class="color-primary">Updated Reporting Templates</h4> <ul class="fancy-list"> <li>You can generate compliance reports with confidence as the QPRF report templates have been updated to v2.0 in full accordance with QAF checklist.</li> </ul> <h4 class="color-primary">Improved Batch Reporting</h4> <ul class="fancy-list"> <li>You can now automatically save all individual reports as a .zip file, preventing duplication of file names</li> </ul> <h4 class="color-primary">Improved Export of Data</h4> <p>With the latest update you can now:</p> <ul class="fancy-list"> <li>Export your data in the less limiting .xlsx file format</li> <li>Export molecular structures as vector images which offers better scaling support</li> <li>Include atom numbers with structure images, enabling you to easily analyze atom-specific properties</li> </ul> <h4 class="color-primary">Convert Units in Calculations</h4> <ul class="fancy-list"> <li>You can now easily configure the software to convert certain units of calculated values to user-specific dimensions by default (for example converting concentration from molar to mass)</li> </ul> </div> </div> </div> </div> </div> </div> </div> </section> <section class=" editor-component wysiwyg-content-styles padding " > <div class="grid-container"> <div class="grid-x align-left"> <div class="cell "> <p>ACD/Labs’ development team is eager to collaborate with organizations to improve predictions for novel compounds. Do you have accurately measured experimental values for the predictions we support? <a href="https://www.acdlabs.com/contact-us/">Contact us</a> to discuss how we may work together.</p> </div> </div> </div> </section> <section class="flexible-page-cards-no-padding" > <div class="grid-container"> <div class="grid-x"> <div class="cell text-center color-primary"> <h2>You Might Also Be Interested In...</h2> </div> <div class="cell card-row card-count-0"> <a class="main-link" href="https://www.acdlabs.com/technical-support/current-software-versions/adme-suite/" target="_self"> <div class="card"> <h4 class="primary-color">ADME Suite</h4> <p>Version 2024 of ADME Suite introduces significant improvements to the P-gp Substrate specificity predictions including a new quantitative efflux model, expansion of the training libraries for P-gp Substrates and Protein Binding.</p> <a class="arrow-link" href="https://www.acdlabs.com/technical-support/current-software-versions/adme-suite/" 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Not consenting or withdrawing consent, may adversely affect certain features and functions.</div>  <div class="cmplz-categories"> <details class="cmplz-category cmplz-functional" > <summary> <span class="cmplz-category-header"> <span class="cmplz-category-title">Functional</span> <span class='cmplz-always-active'> <span class="cmplz-banner-checkbox"> <input type="checkbox" id="cmplz-functional-optout" data-category="cmplz_functional" class="cmplz-consent-checkbox cmplz-functional" size="40" value="1"/> <label class="cmplz-label" for="cmplz-functional-optout" tabindex="0"><span class="screen-reader-text">Functional</span></label> </span> Always active </span> <span class="cmplz-icon cmplz-open"> <svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 448 512" height="18" ><path d="M224 416c-8.188 0-16.38-3.125-22.62-9.375l-192-192c-12.5-12.5-12.5-32.75 0-45.25s32.75-12.5 45.25 0L224 338.8l169.4-169.4c12.5-12.5 32.75-12.5 45.25 0s12.5 32.75 0 45.25l-192 192C240.4 412.9 232.2 416 224 416z"/></svg> </span> </span> </summary> <div class="cmplz-description"> <span class="cmplz-description-functional">The technical storage or access is strictly necessary for the legitimate purpose of enabling the use of a specific service explicitly requested by the subscriber or user, or for the sole purpose of carrying out the transmission of a communication over an electronic communications network.</span> </div> </details> <details class="cmplz-category cmplz-preferences" > <summary> <span class="cmplz-category-header"> <span class="cmplz-category-title">Preferences</span> <span class="cmplz-banner-checkbox"> <input type="checkbox" id="cmplz-preferences-optout" data-category="cmplz_preferences" class="cmplz-consent-checkbox cmplz-preferences" size="40" value="1"/> <label class="cmplz-label" for="cmplz-preferences-optout" tabindex="0"><span class="screen-reader-text">Preferences</span></label> </span> <span class="cmplz-icon cmplz-open"> <svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 448 512" height="18" ><path d="M224 416c-8.188 0-16.38-3.125-22.62-9.375l-192-192c-12.5-12.5-12.5-32.75 0-45.25s32.75-12.5 45.25 0L224 338.8l169.4-169.4c12.5-12.5 32.75-12.5 45.25 0s12.5 32.75 0 45.25l-192 192C240.4 412.9 232.2 416 224 416z"/></svg> </span> </span> </summary> <div class="cmplz-description"> <span class="cmplz-description-preferences">The technical storage or access is necessary for the legitimate purpose of storing preferences that are not requested by the subscriber or user.</span> </div> </details> <details class="cmplz-category cmplz-statistics" > <summary> <span class="cmplz-category-header"> <span class="cmplz-category-title">Statistics</span> <span class="cmplz-banner-checkbox"> <input type="checkbox" id="cmplz-statistics-optout" data-category="cmplz_statistics" class="cmplz-consent-checkbox cmplz-statistics" size="40" value="1"/> <label class="cmplz-label" for="cmplz-statistics-optout" tabindex="0"><span class="screen-reader-text">Statistics</span></label> </span> <span class="cmplz-icon cmplz-open"> <svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 448 512" height="18" ><path d="M224 416c-8.188 0-16.38-3.125-22.62-9.375l-192-192c-12.5-12.5-12.5-32.75 0-45.25s32.75-12.5 45.25 0L224 338.8l169.4-169.4c12.5-12.5 32.75-12.5 45.25 0s12.5 32.75 0 45.25l-192 192C240.4 412.9 232.2 416 224 416z"/></svg> </span> </span> </summary> <div class="cmplz-description"> <span class="cmplz-description-statistics">The technical storage or access that is used exclusively for statistical purposes.</span> <span class="cmplz-description-statistics-anonymous">The technical storage or access that is used exclusively for anonymous statistical purposes. Without a subpoena, voluntary compliance on the part of your Internet Service Provider, or additional records from a third party, information stored or retrieved for this purpose alone cannot usually be used to identify you.</span> </div> </details> <details class="cmplz-category cmplz-marketing" > <summary> <span class="cmplz-category-header"> <span class="cmplz-category-title">Marketing</span> <span class="cmplz-banner-checkbox"> <input type="checkbox" id="cmplz-marketing-optout" data-category="cmplz_marketing" class="cmplz-consent-checkbox cmplz-marketing" size="40" value="1"/> <label class="cmplz-label" for="cmplz-marketing-optout" tabindex="0"><span class="screen-reader-text">Marketing</span></label> </span> <span class="cmplz-icon cmplz-open"> <svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 448 512" height="18" ><path d="M224 416c-8.188 0-16.38-3.125-22.62-9.375l-192-192c-12.5-12.5-12.5-32.75 0-45.25s32.75-12.5 45.25 0L224 338.8l169.4-169.4c12.5-12.5 32.75-12.5 45.25 0s12.5 32.75 0 45.25l-192 192C240.4 412.9 232.2 416 224 416z"/></svg> </span> </span> </summary> <div class="cmplz-description"> <span class="cmplz-description-marketing">The technical storage or access is required to create user profiles to send advertising, or to track the user on a website or across several websites for similar marketing purposes.</span> </div> </details> </div> </div> <div class="cmplz-links cmplz-information"> <a class="cmplz-link cmplz-manage-options cookie-statement" href="#" data-relative_url="#cmplz-manage-consent-container">Manage options</a> <a class="cmplz-link cmplz-manage-third-parties cookie-statement" href="#" data-relative_url="#cmplz-cookies-overview">Manage services</a> <a class="cmplz-link cmplz-manage-vendors tcf cookie-statement" href="#" data-relative_url="#cmplz-tcf-wrapper">Manage {vendor_count} vendors</a> <a class="cmplz-link cmplz-external cmplz-read-more-purposes tcf" target="_blank" rel="noopener noreferrer nofollow" href="https://cookiedatabase.org/tcf/purposes/">Read more about these purposes</a> </div> <div class="cmplz-divider cmplz-footer"></div> <div class="cmplz-buttons"> <button class="cmplz-btn cmplz-accept">Accept</button> <button class="cmplz-btn cmplz-deny">Deny</button> <button class="cmplz-btn cmplz-view-preferences">View preferences</button> <button class="cmplz-btn cmplz-save-preferences">Save preferences</button> <a class="cmplz-btn cmplz-manage-options tcf cookie-statement" href="#" data-relative_url="#cmplz-manage-consent-container">View preferences</a> </div> <div class="cmplz-links cmplz-documents"> <a class="cmplz-link cookie-statement" href="#" data-relative_url="">{title}</a> <a class="cmplz-link privacy-statement" href="#" data-relative_url="">{title}</a> <a class="cmplz-link impressum" href="#" data-relative_url="">{title}</a> </div> </div> </div> <div id="cmplz-manage-consent" data-nosnippet="true"><button class="cmplz-btn cmplz-hidden cmplz-manage-consent manage-consent-1">Manage consent</button> <button class="cmplz-btn cmplz-hidden cmplz-manage-consent manage-consent-1">Manage consent</button> </div> <noscript><link rel='stylesheet' id='all-css-8c77a39f9423a48e23ed643d94442b61' href='https://www.acdlabs.com/_jb_static/??-eJylzDEOwjAMheHbMNFaBomyVJylNaZYxHEUp1TcniAEExPd3vD+D5bUkMXCsUAK8yTRYTEjU+VMDIM7FwcK8nqMwehWD9S8V0vuW/hBTHm4S3lcLKt/DXc4i1dlcKFWJf6Xlysr10STxRr5WkkYcaXxyU/aY7ffIR4P2G1o7PEJT6eEiQ==' type='text/css' media='all' /></noscript><link rel='stylesheet' id='all-css-8c77a39f9423a48e23ed643d94442b61' href='https://www.acdlabs.com/_jb_static/??-eJylzDEOwjAMheHbMNFaBomyVJylNaZYxHEUp1TcniAEExPd3vD+D5bUkMXCsUAK8yTRYTEjU+VMDIM7FwcK8nqMwehWD9S8V0vuW/hBTHm4S3lcLKt/DXc4i1dlcKFWJf6Xlysr10STxRr5WkkYcaXxyU/aY7ffIR4P2G1o7PEJT6eEiQ==' type='text/css' media="not all" data-media="all" onload="this.media=this.dataset.media; 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