Derek Nexus Toxicology Software

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padding: 0; margin: 0; } html, body { height: 100%; } a { position: absolute; z-index: 9999; inset: 0; } img { position: absolute; inset: 0; width: 100%; height: 100%; object-fit: cover; object-position: center; } span { position: absolute; z-index: 1; inset: 50%; width: 84px; height: 84px; transform: translate(-50%, -50%); } span svg { display: block; width: 100%; }</style><a href="https://www.youtube-nocookie.com/embed/ck3P8onoti8?feature=oembed&autoplay=1&mute=1&modestbranding=1&playsinline=1"><span><svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 80 80" fill="none" role="img" aria-hidden="true" width="80" height="80"><path d="M40 75.2c19.441 0 35.2-15.76 35.2-35.2C75.2 20.56 59.442 4.8 40 4.8 20.56 4.8 4.8 20.56 4.8 40c0 19.44 15.76 35.2 35.2 35.2Z" fill="#F9F8F7" fill-opacity=".9"/><path d="M40 75.2c19.441 0 35.2-15.76 35.2-35.2C75.2 20.56 59.442 4.8 40 4.8 20.56 4.8 4.8 20.56 4.8 40c0 19.44 15.76 35.2 35.2 35.2Z" stroke="#000" stroke-width="3.2" stroke-miterlimit="10" stroke-linecap="round" stroke-linejoin="round"/><path d="m30.4 56 27.2-16-27.2-16v32Z" stroke="#000" stroke-width="3.2" stroke-miterlimit="10"/></svg></span><img loading="lazy" src="https://optibrium.com/wp-content/uploads/2024/05/DER02-Thumbnail-768x432.jpg"></a>" data-image="https://optibrium.com/wp-content/uploads/2024/05/DER02-Thumbnail-768x432.jpg" title="Knowledge-based toxicity prediction" width="640" height="360" src="https://www.youtube-nocookie.com/embed/ck3P8onoti8?feature=oembed&autoplay=1&mute=1&modestbranding=1&playsinline=1" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture; web-share" referrerpolicy="strict-origin-when-cross-origin" allowfullscreen></iframe> </div> </div> </div> </div> <section class="in-page-menu wp-block alignwide"> <div class="in-page-menu__outer"> <div class="in-page-menu__inner"> <h2 class="in-page-menu__heading is-style-typestyle-h4">The StarDrop Derek Nexus module</h2> <div class="in-page-menu__content nflm"> <p>Toxicity of drug candidates is a major cause of expensive, late-stage failure in pre-clinical and clinical development. The Derek Nexus module for StarDrop provides <a href="https://www.lhasalimited.org/solutions/safety-profiling-in-drug-discovery/" target="_blank" rel="noopener">Lhasa’s</a> world-leading technology for knowledge-based prediction of key toxicities. Using data from published and donated (unpublished) sources, Derek identifies structure-toxicity relationships that alert you to the potential for your compounds to cause toxicity. The Derek Nexus module provides predictions of the likelihood of a compound causing toxicity in over 40 endpoints, including mutagenicity, hepatotoxicity and cardiotoxicity.</p> </div> </div> <nav class="in-page-menu__nav nflm"> <h3 class="in-page-menu__nav-heading is-style-typestyle-h6">On this page</h3> <ul> <li class="in-page-menu__item"> <a href="https://optibrium.com/products/stardrop/modules/derek-nexus/#why-derek">Why Derek Nexus</a> </li> <li class="in-page-menu__item"> <a href="https://optibrium.com/products/stardrop/modules/derek-nexus/#contact-form">Try Derek Nexus</a> </li> </ul> </nav> </div> </section> <section id="why-derek" class="stacker wp-block alignfull"> <div class="stacker__outer"> <div class="stacker__inner"> <div class="stacker__header nflm"> <h2 class="stacker__heading is-style-typestyle-h2">Why Derek Nexus?</h2> </div> <a href="#contact-form" class="g-button is-yellow stacker__cta has-arrow">Try the Derek Nexus module</a> <div class="stacker__items"> <div class="stacker__item"> <div class="stacker__item-outer has-blue3-background-color"> <div class="stacker__item-inner"> <h3 class="stacker__item-heading is-style-typestyle-h4 has-tags"> Redesign to overcome liabilities </h3> <div class="stacker__item-content nflm"> <p>Seamlessly integrated with StarDrop’s <a href="https://optibrium.com/products/stardrop/features/glowing-molecule-in-stardrop/" target="_blank" rel="noopener">Glowing Molecule visualisation,</a> regions of compounds that trigger alerts are highlighted, helping to guide the redesign of your compounds to overcome liabilities. Derek Nexus models are dynamically linked to StarDrop’s interactive designer, generating instant feedback as you explore strategies to reduce the risk of toxicity.</p> </div> </div> </div> </div> <div class="stacker__item"> <div class="stacker__item-outer has-orange-background-color"> <div class="stacker__item-inner"> <h3 class="stacker__item-heading is-style-typestyle-h4 has-tags"> Collaborate to guide decisions </h3> <div class="stacker__item-content nflm"> <p>Easy-to-use reporting makes it simple for chemists and expert toxicologists to collaborate in order to interpret and understand the relevance of a potential liability. Toxicity predictions can be given an appropriate weight in StarDrop’s Probabilistic Scoring to intuitively balance the reduction of toxicity risk with the other requirements for a successful, safe and efficacious drug in hit-to-lead and lead optimisation. The result? Effective, early decision-making regarding the prioritisation of chemistries in the drug discovery process.</p> </div> </div> </div> </div> </div> </div> </div> </section> <figure class="wp-block-embed is-type-video is-provider-youtube wp-block-embed-youtube wp-embed-aspect-16-9 wp-has-aspect-ratio"><div class="wp-block-embed__wrapper"> <iframe loading="lazy" srcdoc="<style>* { overflow: hidden; padding: 0; margin: 0; } html, body { height: 100%; } a { position: absolute; z-index: 9999; inset: 0; } img { position: absolute; inset: 0; width: 100%; height: 100%; object-fit: cover; object-position: center; } span { position: absolute; z-index: 1; inset: 50%; width: 84px; height: 84px; transform: translate(-50%, -50%); } span svg { display: block; width: 100%; }</style><a href="https://www.youtube-nocookie.com/embed/F-UN3s1Kkho?feature=oembed&autoplay=1&mute=1&modestbranding=1&playsinline=1"><span><svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 80 80" fill="none" role="img" aria-hidden="true" width="80" height="80"><path d="M40 75.2c19.441 0 35.2-15.76 35.2-35.2C75.2 20.56 59.442 4.8 40 4.8 20.56 4.8 4.8 20.56 4.8 40c0 19.44 15.76 35.2 35.2 35.2Z" fill="#F9F8F7" fill-opacity=".9"/><path d="M40 75.2c19.441 0 35.2-15.76 35.2-35.2C75.2 20.56 59.442 4.8 40 4.8 20.56 4.8 4.8 20.56 4.8 40c0 19.44 15.76 35.2 35.2 35.2Z" stroke="#000" stroke-width="3.2" stroke-miterlimit="10" stroke-linecap="round" stroke-linejoin="round"/><path d="m30.4 56 27.2-16-27.2-16v32Z" stroke="#000" stroke-width="3.2" stroke-miterlimit="10"/></svg></span><img loading="lazy" src="https://img.youtube.com/vi/F-UN3s1Kkho/maxresdefault.jpg"></a>" title="Interactive toxicity prediction" width="500" height="281" src="https://www.youtube-nocookie.com/embed/F-UN3s1Kkho?feature=oembed&autoplay=1&mute=1&modestbranding=1&playsinline=1" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture; web-share" referrerpolicy="strict-origin-when-cross-origin" allowfullscreen></iframe> </div><figcaption class="wp-element-caption">Instant feedback on toxicity risk reduction with Derek Nexus models linked to StarDrop’s interactive designer</figcaption></figure> <blockquote class="wp-block-quote is-layout-flow wp-block-quote-is-layout-flow"> <p>Optibrium tools have proven instrumental during our lead optimisation programs and beyond. Particularly, the metabolism module provided valuable guidance on design level during optimisation cycles and substantially accelerated structure elucidation during Met-ID studies.</p> <cite>Dr. Florian Kloss, Head of Chemistry, Basilea, Switzerland</cite></blockquote> <section id="contact-form" class="two-column-content wp-block alignwide"> <div class="two-column-content__outer"> <div class="two-column-content__column nflm is-first"> <h2 aria-label="Ready to try the Derek Nexus module?" class="two-column-content__heading is-style-typestyle-h1 has-tags"><span>Ready to try</span> the Derek Nexus module?</h2> <div class="two-column-content__content nflm"> <p>Derek Nexus is available as an optional module for StarDrop. If you’d like to try StarDrop and the Derek Nexus module, please complete the form simply complete the form for a free personalised demo and see how StarDrop fits your unique research need.</p> <h3>Keen to find what factors will impact the cost of StarDrop?</h3> <p>Our CCO, James Halle, talks about key considerations when budgeting for drug discovery software.</p> <p><a class="arrow-link g-button" href="https://optibrium.com/knowledge-base/blog-how-much-does-drug-discovery-software-cost/">Read the article</a></p> </div> </div> <div class="two-column-content__column is-second nflm"> <script charset="utf-8" type="text/javascript" src="//js-eu1.hsforms.net/forms/embed/v2.js"></script> <script> hbspt.forms.create({ region: "eu1", portalId: "26508147", formId: "ad28dc89-668f-415c-be77-9c3358ba0dc1", sfdcCampaignId: "7018e0000011SLNAA2" }); </script> </div> </div> </section> <section class="cards wp-block alignfull"> <div class="cards__outer"> <div class="cards__inner"> <div class="cards__header"> <h2 aria-label="More toxicology resources" class="cards__heading is-style-typestyle-h1 has-tags">More toxicology <span>resources</span></h2> </div> <div class="cards__items"> <article class="g-card is-knowledge-base is-publication has-image has-link"> <div class="g-card__outer"> <div class="g-card__inner"> <h2 class="g-card__heading"><a href="https://optibrium.com/knowledge-base/addressing-toxicity-risk-when-designing-and-selecting-compounds-in-early-drug-discovery/">Addressing toxicity risk when designing and selecting compounds in early drug discovery</a> </h2> <div class="g-card__content"> <p>Summary In this article, ‘Addressing toxicity risk when designing and selecting compounds in early drug discovery‘, we discuss the application…</p> </div> </div> <div class="g-card__footer"> <div class="g-card__labels"> <div class="g-card__labels__items"> <a href="https://optibrium.com/topic/predictive-modelling/" class="g-button is-small">Predictive modelling</a> </div> </div> <div class="g-card__meta"> 1 November 2013 </div> </div> </div> <div class="g-card__media img-fit"> <img decoding="async" width="250" height="235" src="data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAyNTAgMjM1IiB3aWR0aD0iMjUwIiBoZWlnaHQ9IjIzNSIgZGF0YS11PSJodHRwcyUzQSUyRiUyRm9wdGlicml1bS5jb20lMkZ3cC1jb250ZW50JTJGdXBsb2FkcyUyRjIwMjQlMkYwNiUyRnRveF9jc18zMDAucG5nIiBkYXRhLXc9IjI1MCIgZGF0YS1oPSIyMzUiPjwvc3ZnPg==" data-spai="1" class="attachment-medium_large size-medium_large" alt="" id="5241" /> </div> </article> <article class="g-card is-resource has-image has-link"> <div class="g-card__outer"> <div class="g-card__inner"> <h2 class="g-card__heading"><a href="https://optibrium.com/resources/addressing-toxicity-risk-in-multi-parameter-optimisation/">Addressing toxicity risk in multi-parameter optimisation</a> </h2> <div class="g-card__content"> <p>In this example we will illustrate how knowledge-based predictions of toxicity can be used within a MPO environment to guide the selection and design of compounds with a good balance of properties and reduced risk of toxicity.</p> </div> </div> <div class="g-card__footer"> <div class="g-card__labels"> <div class="g-card__labels__items"> <a href="https://optibrium.com/topic/multi-parameter-optimisation/" class="g-button is-small">Multi-parameter optimisation</a> </div> </div> <div class="g-card__meta"> 18 May 2022 </div> </div> </div> <div class="g-card__media img-fit"> <img decoding="async" width="768" height="432" src="data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAxMjgwIDcyMCIgd2lkdGg9IjEyODAiIGhlaWdodD0iNzIwIiBkYXRhLXU9Imh0dHBzJTNBJTJGJTJGb3B0aWJyaXVtLmNvbSUyRndwLWNvbnRlbnQlMkZ1cGxvYWRzJTJGMjAyMiUyRjA1JTJGREVSMDEtVGh1bWJuYWlsLmpwZyIgZGF0YS13PSIxMjgwIiBkYXRhLWg9IjcyMCI+PC9zdmc+" data-spai="1" class="attachment-medium_large size-medium_large" alt="" id="5147" srcset=" " sizes="(max-width: 768px) 100vw, 768px" /> </div> </article> <article class="g-card is-resource has-image has-link"> <div class="g-card__outer"> <div class="g-card__inner"> <h2 class="g-card__heading"><a href="https://optibrium.com/resources/redesign-to-reduce-toxicity-risk/">Redesign to reduce drug toxicity risk</a> </h2> <div class="g-card__content"> <p>In this demo we look at how it’s possible to use the Derek Nexus module with StarDrop to guide the design of…</p> </div> </div> <div class="g-card__footer"> <div class="g-card__labels"> <div class="g-card__labels__items"> <a href="https://optibrium.com/topic/multi-parameter-optimisation/" class="g-button is-small">Multi-parameter optimisation</a> </div> </div> <div class="g-card__meta"> 16 October 2013 </div> </div> </div> <div class="g-card__media img-fit"> <img decoding="async" width="768" height="432" src="data:image/svg+xml;base64,PHN2ZyB4bWxucz0iaHR0cDovL3d3dy53My5vcmcvMjAwMC9zdmciIHZpZXdCb3g9IjAgMCAxMjgwIDcyMCIgd2lkdGg9IjEyODAiIGhlaWdodD0iNzIwIiBkYXRhLXU9Imh0dHBzJTNBJTJGJTJGb3B0aWJyaXVtLmNvbSUyRndwLWNvbnRlbnQlMkZ1cGxvYWRzJTJGMjAxMyUyRjEwJTJGREVSMDMtVGh1bWJuYWlsLmpwZyIgZGF0YS13PSIxMjgwIiBkYXRhLWg9IjcyMCI+PC9zdmc+" data-spai="1" class="attachment-medium_large size-medium_large" alt="" id="4697" srcset=" " sizes="(max-width: 768px) 100vw, 768px" /> </div> </article> </div> </div> </div> </section> </div> </div> </main> <footer class="site-footer"> <div class="site-footer__inner alignwide"> <div class="site-footer__top"> <div class="site-footer__logo"> <a href="https://optibrium.com/"><img src="https://optibrium.com/wp-content/themes/optibrium/assets/images/logo.svg" alt="Optibrium" loading="lazy" width="187" height="56"></a> </div> <nav class="site-footer__nav"> <ul id="menu-footer" class=""><li id="menu-item-360" class="menu-item menu-item-type-custom menu-item-object-custom 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