QSAR Toolbox

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menu-item-object-page no-underline"> <a href="#" data-toggle="modal" data-target="#popup_login" title="Log In"><i class="fa fa-sign-in"></i> <span class="mobile-logout pull-left visible-sm visible-xs"> Login </span></a> </li> <li class="menu-item menu-item-type-post_type menu-item-object-page no-underline hidden-sm hidden-xs"> <a href="#" data-toggle="modal" data-target="#popup_search"><i class="fa fa-search"></i></a> </li> </ul></div> </nav> </div> </header> <div id="content" role="main"> <article id="post-2" class="page"> <section class="section swatch-header-blue section-nopadding homepage-header"><div class="background-media" style="background-image:url('https://qsartoolbox.org/file/2018/10/Home-Video-Thumb-Oct-2018.jpg');background-repeat:no-repeat;background-size:cover;background-attachment:scroll;background-position:center 0%;"><video style="width: 100%; height: 100%;" loop muted autoplay class="section-background-video" type="video/mp4" src="https://qsartoolbox.org/file/2018/10/Homepage-Video-Header-Sep-2018.mp4"></video></div><div class="background-overlay" style="background-color:rgba(10,21,31,0.2)"></div><div class="container"><div class="row vertical-top"><div class="col-md-12 color-fix text-default"><div class="vc_empty_space hidden-sm hidden-xs" style="height: 230px"><span class="vc_empty_space_inner"></span></div> <div class="vc_empty_space visible-sm visible-xs" style="height: 130px"><span class="vc_empty_space_inner"></span></div> <h1 class="text-left super light no-bordered-header">WHAT IS THE QSAR TOOLBOX?</h1><div class="vc_empty_space" style="height: 10px"><span class="vc_empty_space_inner"></span></div> <p>The Toolbox is a free software application that supports<br> reproducible and transparent chemical hazard assessment.<br> It offers functionalities for retrieving experimental data,<br> simulating metabolism and profiling properties of chemicals.<br> These information and tools can be used to find structurally<br> and mechanistically defined analogues and chemical categories,<br> which can serve as sources for read-across and trend analysis<br> for data gap filling.</p> <div class="vc_empty_space" style="height: 20px"><span class="vc_empty_space_inner"></span></div> <div class="vc_btn3-container vc_btn3-inline"> <a class="vc_general vc_btn3 vc_btn3-size-md vc_btn3-shape-square vc_btn3-style-outline vc_btn3-color-white" href="https://qsartoolbox.org/download/" title="">DOWNLOAD LATEST VERSION</a></div> <div class="vc_empty_space" style="height: 70px"><span class="vc_empty_space_inner"></span></div> <div class="box-wrap aligncenter" data-animation="fadeInDown"><div class="box-square box-small"><div class="box-dummy"></div><span class="box-inner"><img alt="Homepage Arrow Down - QSAR Toolbox" src="https://qsartoolbox.org/file/2018/09/Homepage-Arrow-Down.png" title="QSAR Toolbox"></span></div></div><div class="vc_empty_space" style="height: 20px"><span class="vc_empty_space_inner"></span></div> </div></div></div></section><section class="section swatch-white-blue section-short "><div class="background-media" style="background-image:url('https://qsartoolbox.org/file/2018/10/Background_Hex_Right_Short.png');background-repeat:no-repeat;background-size:cover;background-attachment:scroll;background-position:center 0%;"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-12 text-default"><h1 class="text-center normal light no-bordered-header">Main Characteristics</h1></div></div></div></section><section class="section swatch-white-blue section-tiny color-fix"><div class="background-media"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-6 text-default"><div class="row "><div class="col-md-3 text-default"><div class="box-wrap aligncenter" data-animation="none"><div class="box-square box-medium"><div class="box-dummy"></div><span class="box-inner"><img alt="Home main characters5 - QSAR Toolbox" src="https://qsartoolbox.org/file/2018/09/Home-main-characters5.png" title="QSAR Toolbox"></span></div></div></div><div class="col-md-9 text-default"><h3>Effective</h3> <p>Simplifies the correct use of non-test methods for users with sufficient understanding of (eco)toxicology by uniform application of read-across.</p> </div></div></div><div class="col-md-6 text-default"><div class="row "><div class="col-md-3 text-default"><div class="box-wrap aligncenter" data-animation="none"><div class="box-square box-medium"><div class="box-dummy"></div><span class="box-inner"><img alt="Home main characters2 - QSAR Toolbox" src="https://qsartoolbox.org/file/2018/09/Home-main-characters2.png" title="QSAR Toolbox"></span></div></div></div><div class="col-md-9 text-default"><h3>Streamlined</h3> <p>Incorporates theoretical knowledge, experimental data and computational tools organized in a logical workflow.</p> </div></div></div></div></div></section><section class="section swatch-white-blue section-tiny color-fix"><div class="background-media"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-6 text-default os-animation" data-os-animation="fadeInLeft" data-os-animation-delay="0.2s"><div class="row "><div class="col-md-3 text-default"><div class="box-wrap aligncenter" data-animation="none"><div class="box-square box-medium"><div class="box-dummy"></div><span class="box-inner"><img alt="Home main characters3 - QSAR Toolbox" src="https://qsartoolbox.org/file/2018/09/Home-main-characters3.png" title="QSAR Toolbox"></span></div></div></div><div class="col-md-9 text-default"><h3>Data Rich</h3> <p>About 63 databases with above 155 K chemicals and above 3.3M experimental data points.</p> </div></div></div><div class="col-md-6 text-default os-animation" data-os-animation="fadeInRight" data-os-animation-delay="0.2s"><div class="row "><div class="col-md-3 text-default"><div class="box-wrap aligncenter" data-animation="none"><div class="box-square box-medium"><div class="box-dummy"></div><span class="box-inner"><img alt="Home main characters4 - QSAR Toolbox" src="https://qsartoolbox.org/file/2018/09/Home-main-characters4.png" title="QSAR Toolbox"></span></div></div></div><div class="col-md-9 text-default"><h3>Transparent</h3> <p>Knowledge library for the covalent binding mechanisms with macromolecules. Also useful for preliminary screening or prioritization of substances.</p> </div></div></div></div></div></section><section class="section swatch-white-blue section-tiny color-fix"><div class="background-media"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-6 text-default os-animation" data-os-animation="fadeInLeft" data-os-animation-delay="0.2s"><div class="row "><div class="col-md-3 text-default"><div class="box-wrap aligncenter" data-animation="none"><div class="box-square box-medium"><div class="box-dummy"></div><span class="box-inner"><img alt="Home main characters - QSAR Toolbox" src="https://qsartoolbox.org/file/2018/09/Home-main-characters.png" title="QSAR Toolbox"></span></div></div></div><div class="col-md-9 text-default"><h3>Exhaustive</h3> <p>Showing observed and/or predicted metabolites and/or degradation products. Takes into account the (a)biotic activation of the chemicals for metabolism-related predictions.</p> </div></div></div><div class="col-md-6 text-default os-animation" data-os-animation="fadeInRight" data-os-animation-delay="0.2s"><div class="row "><div class="col-md-3 text-default"><div class="box-wrap aligncenter" data-animation="none"><div class="box-square box-medium"><div class="box-dummy"></div><span class="box-inner"><img alt="Home main characters6 - QSAR Toolbox" src="https://qsartoolbox.org/file/2018/09/Home-main-characters6.png" title="QSAR Toolbox"></span></div></div></div><div class="col-md-9 text-default"><h3>Multifunctional</h3> <p>Various tools for searching of chemicals/data and working with them; import/export; assessment of category consistency; reporting, etc.</p> </div></div></div></div></div></section><section class="section swatch-white-blue section-tiny has-bottom color-fix"><div class="background-media"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-3 text-default"></div><div class="col-md-6 text-default os-animation" data-os-animation="fadeInLeft" data-os-animation-delay="0.4s"><div class="row "><div class="col-md-3 text-default"><div class="box-wrap aligncenter" data-animation="none"><div class="box-square box-medium"><div class="box-dummy"></div><span class="box-inner"><img alt="Home main characters7 - QSAR Toolbox" src="https://qsartoolbox.org/file/2018/09/Home-main-characters7.png" title="QSAR Toolbox"></span></div></div></div><div class="col-md-9 text-default"><h3>Free</h3> <p>The QSAR Toolbox Is available free of charge.</p> </div></div></div><div class="col-md-3 text-default"></div></div></div><div class="decor-bottom"><svg class="decor" height="120px" preserveaspectratio="none" style="height: 120px !important;" version="1.1" viewbox="0 0 100 100" width="240px" xmlns="http://www.w3.org/2000/svg"><path d="M25 0 L50 25 L75 0" stroke-width="0"></path></svg></div></section><section class="section swatch-black-white section-short has-bottom "><div class="background-media" style="background-image:url('https://qsartoolbox.org/file/2019/02/Home-download-section-bg.jpg');background-repeat:no-repeat;background-size:cover;background-attachment:scroll;background-position:center 0%;"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-12 text-default"><h1 class="text-center normal light no-bordered-header">Just a Click Away</h1><h3 style="text-align: center;">Downloading Toolbox is fast and easy. Try it yourself today!</h3> <div class="vc_empty_space" style="height: 32px"><span class="vc_empty_space_inner"></span></div> <div class="vc_btn3-container vc_btn3-center"> <a class="vc_general vc_btn3 vc_btn3-size-sm vc_btn3-shape-square vc_btn3-style-outline vc_btn3-color-grey" href="https://qsartoolbox.org/download/" title="">DOWNLOAD LATEST VERSION</a></div> </div></div></div><div class="decor-bottom"><svg class="decor" height="120px" preserveaspectratio="none" style="height: 120px !important;" version="1.1" viewbox="0 0 100 100" width="240px" xmlns="http://www.w3.org/2000/svg"><path d="M25 0 L50 25 L75 0" stroke-width="0"></path></svg></div></section><section class="section swatch-blue-white section-short "><div class="background-media"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-12 text-default"><h1 class="text-center normal light no-bordered-header">Main Functionalities</h1></div></div></div></section><section class="section swatch-blue-white section-tiny color-fix"><div class="background-media"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-6 text-default os-animation" data-os-animation="fadeInLeft" data-os-animation-delay="0.1s"><div class="row "><div class="col-md-3 text-default"><div class="box-wrap aligncenter" data-animation="none"><div class="box-square box-medium"><div class="box-dummy"></div><span class="box-inner"><img alt="find experimental data - QSAR Toolbox" src="https://qsartoolbox.org/file/2019/02/find-experimental-data.png" title="QSAR Toolbox"></span></div></div></div><div class="col-md-9 text-default"><h3>Find experimental data</h3> <p>Looking for experimental data? With 3,220,692 data points for 97,408 structures from 62 databases, the Toolbox is an invaluable tool to find the results you are looking for. All available details on the experimental test are also reported (link to: <a href="https://qsartoolbox.org/resources/databases/"><u>qsartoolbox.org/resources/databases/</u></a>)</p> </div></div></div><div class="col-md-6 text-default os-animation" data-os-animation="fadeInRight" data-os-animation-delay="0.1s"><div class="row "><div class="col-md-3 text-default"><div class="box-wrap aligncenter" data-animation="none"><div class="box-square box-medium"><div class="box-dummy"></div><span class="box-inner"><img alt="find analogues - QSAR Toolbox" src="https://qsartoolbox.org/file/2019/02/find-analogues.png" title="QSAR Toolbox"></span></div></div></div><div class="col-md-9 text-default"><h3>Find analogues, build and assess categories</h3> <p>You did not find experimental data for your chemical? No problem, use the Toolbox to find data-rich analogues based on the knowledge for structural characteristics (alerts from profilers) and chemical properties. You can also use the Toolbox to assess the consistency of a category, the starting point for read-across justification.</p> </div></div></div></div></div></section><section class="section swatch-blue-white section-tiny color-fix"><div class="background-media"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-6 text-default os-animation" data-os-animation="fadeInLeft" data-os-animation-delay="0.1s"><div class="row "><div class="col-md-3 text-default"><div class="box-wrap aligncenter" data-animation="none"><div class="box-square box-medium"><div class="box-dummy"></div><span class="box-inner"><img alt="metabolism - QSAR Toolbox" src="https://qsartoolbox.org/file/2019/02/metabolism.png" title="QSAR Toolbox"></span></div></div></div><div class="col-md-9 text-default"><h3>Metabolism and transformations</h3> <p>The assessment of metabolism and transformation products is a crucial step in chemical risk assessment. Use the Toolbox to explore experimental metabolic maps or to simulate the metabolism and degradation of your substance in different organisms and conditions.</p> </div></div></div><div class="col-md-6 text-default os-animation" data-os-animation="fadeInRight" data-os-animation-delay="0.1s"><div class="row "><div class="col-md-3 text-default"><div class="box-wrap aligncenter" data-animation="none"><div class="box-square box-medium"><div class="box-dummy"></div><span class="box-inner"><img alt="fill data gaps - QSAR Toolbox" src="https://qsartoolbox.org/file/2019/02/fill-data-gaps.png" title="QSAR Toolbox"></span></div></div></div><div class="col-md-9 text-default"><h3>Fill data gaps from analogues</h3> <p>Once you have built a consistent category, fill data gaps for your substance by using data from analogues. Classical read-across or trend analysis can be used for this purpose.</p> </div></div></div></div></div></section><section class="section swatch-blue-white section-tiny color-fix"><div class="background-media"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-6 text-default os-animation" data-os-animation="fadeInLeft" data-os-animation-delay="0.1s"><div class="row "><div class="col-md-3 text-default"><div class="box-wrap aligncenter" data-animation="none"><div class="box-square box-medium"><div class="box-dummy"></div><span class="box-inner"><img alt="run external - QSAR Toolbox" src="https://qsartoolbox.org/file/2019/02/run-external.png" title="QSAR Toolbox"></span></div></div></div><div class="col-md-9 text-default"><h3>Run external QSAR models</h3> <p>QSAR predictions are a cost and time effective way to create supporting evidence for your assessment. For low tier endpoints, QSAR evidence can even be used as stand alone to fill data gaps. The QSAR Toolbox incorporates a series of external QSAR models that can be run when needed.</p> </div></div></div><div class="col-md-6 text-default os-animation" data-os-animation="fadeInRight" data-os-animation-delay="0.1s"><div class="row "><div class="col-md-3 text-default"><div class="box-wrap aligncenter" data-animation="none"><div class="box-square box-medium"><div class="box-dummy"></div><span class="box-inner"><img alt="build data - QSAR Toolbox" src="https://qsartoolbox.org/file/2019/02/build-data.png" title="QSAR Toolbox"></span></div></div></div><div class="col-md-9 text-default"><h3>Build data matrices and prediction reports</h3> <p>Once you have done your assessment with the Toolbox, it is time to share the results with your colleagues, customers or regulators. After finding analogues, the Toolbox offers a data matrix wizard that builds data matrices, saving you hours of work you would need to create the tables manually. Also predictions can be reported in a customizable document that ensures transparency of the assessment.</p> </div></div></div></div></div></section><section class="section swatch-blue-white section-tiny has-bottom color-fix"><div class="background-media"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-12 text-default"></div></div></div><div class="decor-bottom"><svg class="decor" height="120px" preserveaspectratio="none" style="height: 120px !important;" version="1.1" viewbox="0 0 100 100" width="240px" xmlns="http://www.w3.org/2000/svg"><path d="M25 0 L50 25 L75 0" stroke-width="0"></path></svg></div></section><section class="section swatch-grey-black section-short has-bottom "><div class="background-media" style="background-image:url('https://qsartoolbox.org/file/2018/10/Background_Hex_Full_Width_Light.png');background-repeat:no-repeat;background-size:cover;background-attachment:scroll;background-position:center 0%;"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-12 text-default"><h1 class="text-center normal light no-bordered-header">FEATURES</h1> <div class="wpsisac-slider-wrp wpsisac-clearfix "> <div id="wpsisac-pro-slick-slider-1" class="wpsisac-slick wpsisac-slick-slider wpsisac-clearfix wpsisac-prodesign-7 wpsisac-image-fit wpsisac-arrow-design-1 wpsisac-dots-design-1"> <div class="wpsisac-slick-image-slide"> <div class="wpsisac-slide-wrap"> <div class="wpsisac-medium-6 wpsisac-columns"> <div class="wpsisac-slider-content"> <h2 class="wpsisac-slide-title">Input</h2> <div class="wpsisac-slider-short-content"><p>Facilitates the practical application of grouping of chemicals and read-across approaches for data gap filling. Facilitates the practical application of grouping of chemicals and read-across approaches for data gap filling.</p> <p>Facilitates the practical application of grouping of chemicals and read-across approaches for data gap filling. Facilitates the practical application of grouping.</p> </div> <div class="wpsisac-readmore"><a href="/features/input/" class="wpsisac-slider-readmore" target="_self">Read More</a></div> </div> </div> <div class="wpsisac-medium-6 wpsisac-columns left-image-side"> <div class="wpsisac-slide-image-bg" style="height:500px;"> <a class="wpsisac-slick-slider-link" href="/features/input/" target="_self"></a> <img class="wpsisac-slider-img" src="https://qsartoolbox.org/file/2018/09/Home-Features-input-laptop.png" alt="Home Features input laptop - QSAR Toolbox" title="QSAR Toolbox"></div> </div> </div> </div> <div class="wpsisac-slick-image-slide"> <div class="wpsisac-slide-wrap"> <div class="wpsisac-medium-6 wpsisac-columns"> <div class="wpsisac-slider-content"> <h2 class="wpsisac-slide-title">Profiling</h2> <div class="wpsisac-slider-short-content"><p>The “Profiling” module contains all the knowledge in the system coded in profiling schemes (profilers). The profilers identify the affiliation of the target chemical(s) to preliminary defined categories (functional groups/alerts).</p> <p>The outcome of the profiling determines the most appropriate way to search for analogues, but they are also useful for preliminary screening or prioritization of substances.</p> <p> </p> <p>The “Profiling” module contains also <em><strong>observed</strong></em> and <em><strong>simulated metabolisms/transformations</strong></em>, which could be used in combination with the profiling schemes.</p> </div> <div class="wpsisac-readmore"><a href="/features/profiling/" class="wpsisac-slider-readmore" target="_self">Read More</a></div> </div> </div> <div class="wpsisac-medium-6 wpsisac-columns left-image-side"> <div class="wpsisac-slide-image-bg" style="height:500px;"> <a class="wpsisac-slick-slider-link" href="/features/profiling/" target="_self"></a> <img class="wpsisac-slider-img" src="https://qsartoolbox.org/file/2018/09/Home-Features-profiling-laptop.png" alt="Home Features profiling laptop - QSAR Toolbox" title="QSAR Toolbox"></div> </div> </div> </div> <div class="wpsisac-slick-image-slide"> <div class="wpsisac-slide-wrap"> <div class="wpsisac-medium-6 wpsisac-columns"> <div class="wpsisac-slider-content"> <h2 class="wpsisac-slide-title">Grouping</h2> <div class="wpsisac-slider-short-content"><p><em>Category definition</em> module provides the user with several means of grouping chemicals into a toxicologically meaningful category based on the specifics of the target molecule.  The chemicals could be grouped according to different measures of “similarity” (structural or mechanistic similarity) so that within a category data gaps can be filled by read-across or trend analysis. This is the critical step in the workflow and several options are available in the Toolbox to assist the user in better definition of the category.</p> </div> <div class="wpsisac-readmore"><a href="/features/grouping/" class="wpsisac-slider-readmore" target="_self">Read More</a></div> </div> </div> <div class="wpsisac-medium-6 wpsisac-columns left-image-side"> <div class="wpsisac-slide-image-bg" style="height:500px;"> <a class="wpsisac-slick-slider-link" href="/features/grouping/" target="_self"></a> <img class="wpsisac-slider-img" src="https://qsartoolbox.org/file/2018/09/Home-Features-grouping-laptop.png" alt="Home Features grouping laptop - QSAR Toolbox" title="QSAR Toolbox"></div> </div> </div> </div> <div class="wpsisac-slick-image-slide"> <div class="wpsisac-slide-wrap"> <div class="wpsisac-medium-6 wpsisac-columns"> <div class="wpsisac-slider-content"> <h2 class="wpsisac-slide-title">Filling Data Gaps</h2> <div class="wpsisac-slider-short-content"><p>In the <em>Data Gap Fiiling</em> module the user is able to fill a data gap for their target substance using data from analogues with a trend analysis, read-across or existing QSAR models. When selecting read-across or trend analysis, the user can further reduce the data set uncertainty by subcategorizing  removing the chemicals which differ mechanistically and/or structurally to the target chemical.</p> <p>Automated and semi-automated workflows following an implemented logic for predefined endpoints (Aquatic toxicity, Skin sensitization) could be also executed.</p> </div> <div class="wpsisac-readmore"><a href="/features/filling-data-gaps/" class="wpsisac-slider-readmore" target="_self">Read More</a></div> </div> </div> <div class="wpsisac-medium-6 wpsisac-columns left-image-side"> <div class="wpsisac-slide-image-bg" style="height:500px;"> <a class="wpsisac-slick-slider-link" href="/features/filling-data-gaps/" target="_self"></a> <img class="wpsisac-slider-img" src="https://qsartoolbox.org/file/2018/09/Home-Features-datagaps-screen.png" alt="Home Features datagaps screen - QSAR Toolbox" title="QSAR Toolbox"></div> </div> </div> </div> <div class="wpsisac-slick-image-slide"> <div class="wpsisac-slide-wrap"> <div class="wpsisac-medium-6 wpsisac-columns"> <div class="wpsisac-slider-content"> <h2 class="wpsisac-slide-title">Reporting</h2> <div class="wpsisac-slider-short-content"><p>In the “Report” module one could create a report for any of the predictions performed with the Toolbox or a report related to the consistency of the current category. Additionally report files for the chemicals in the data matrix (Data matrix report) and for the available (Q)SAR models (QMRF reports) could be generated.</p> </div> <div class="wpsisac-readmore"><a href="/features/reporting/" class="wpsisac-slider-readmore" target="_self">Read More</a></div> </div> </div> <div class="wpsisac-medium-6 wpsisac-columns left-image-side"> <div class="wpsisac-slide-image-bg" style="height:500px;"> <a class="wpsisac-slick-slider-link" href="/features/reporting/" target="_self"></a> <img class="wpsisac-slider-img" src="https://qsartoolbox.org/file/2018/09/Home-Features-reporting-screen.png" alt="Home Features reporting screen - QSAR Toolbox" title="QSAR Toolbox"></div> </div> </div> </div> </div> <div class="wpsisac-slider-conf wpsisac-hide" data-conf='{"dots":"false","arrows":"true","autoplay":"true","autoplay_interval":3000,"speed":600,"fade":"false","design":"prodesign-7","rtl":"false","loop":"true","slider_nav_column":5}'></div> </div></div></div></div><div class="decor-bottom"><svg class="decor" height="120px" preserveaspectratio="none" style="height: 120px !important;" version="1.1" viewbox="0 0 100 100" width="240px" xmlns="http://www.w3.org/2000/svg"><path d="M25 0 L50 25 L75 0" stroke-width="0"></path></svg></div></section><section class="section swatch-white-black section-normal has-bottom "><div class="background-media" style="background-image:url('https://qsartoolbox.org/file/2018/10/Background_World_Map_Transparent.png');background-repeat:no-repeat;background-size:cover;background-attachment:scroll;background-position:center 0%;"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-12 text-default"><h1 class="text-center normal light no-bordered-header">Used Globally</h1><p style="text-align: center;">The latest generation (versions 4.x) has been downloaded over 30,000 times by users from all continents.<br> The overall downloads by continents:</p> <div class="row margin-top-60 margin-bottom-60"><div class="col-md-2 text-default"><div class="counter no-underline" data-count="40700"><span class="value odometer normal regular att-theme-hexagon-svg att-theme-hexagon-cont-medium">0</span></div><h4 style="text-align: center;">Europe</h4> </div><div class="col-md-2 text-default"><div class="counter no-underline" data-count="47300"><span class="value odometer normal regular att-theme-hexagon-svg att-theme-hexagon-cont-medium">0</span></div><h4 style="text-align: center;">Asia</h4> </div><div class="col-md-2 text-default"><div class="counter no-underline" data-count="18000"><span class="value odometer normal regular att-theme-hexagon-svg att-theme-hexagon-cont-medium">0</span></div><h4 style="text-align: center;">North America</h4> </div><div class="col-md-2 text-default"><div class="counter no-underline" data-count="4200"><span class="value odometer normal regular att-theme-hexagon-svg att-theme-hexagon-cont-medium">0</span></div><h4 style="text-align: center;">South America</h4> </div><div class="col-md-2 text-default"><div class="counter no-underline" data-count="2000"><span class="value odometer normal regular att-theme-hexagon-svg att-theme-hexagon-cont-medium">0</span></div><h4 style="text-align: center;">Africa</h4> </div><div class="col-md-2 text-default"><div class="counter no-underline" data-count="1200"><span class="value odometer normal regular att-theme-hexagon-svg att-theme-hexagon-cont-medium">0</span></div><h4 style="text-align: center;">Australia and<br> New Zealand</h4> </div></div><div class="row "><div class="col-md-12 text-default"></div></div></div></div></div><div class="decor-bottom"><svg class="decor" height="120px" preserveaspectratio="none" style="height: 120px !important;" version="1.1" viewbox="0 0 100 100" width="240px" xmlns="http://www.w3.org/2000/svg"><path d="M25 0 L50 25 L75 0" stroke-width="0"></path></svg></div></section><section class="section swatch-blue-white section-normal has-bottom "><div class="background-media" style="background-image:url('https://qsartoolbox.org/file/2018/10/Background_Desk_Laptop_Blue.jpg');background-repeat:no-repeat;background-size:cover;background-attachment:scroll;background-position:center 0%;"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-12 text-default"><h1 class="text-center normal light no-bordered-header">Active Users</h1><div class="vc_empty_space" style="height: 44px"><span class="vc_empty_space_inner"></span></div> <p><img class="aligncenter wp-image-1896 size-full" src="https://qsartoolbox.org/file/2019/02/Homepage-GIF-February-2019.gif" alt="Homepage GIF February 2019 - QSAR Toolbox" width="1000" height="429" title="QSAR Toolbox"></p> <div class="vc_empty_space" style="height: 24px"><span class="vc_empty_space_inner"></span></div> </div></div></div><div class="decor-bottom"><svg class="decor" height="120px" preserveaspectratio="none" style="height: 120px !important;" version="1.1" viewbox="0 0 100 100" width="240px" xmlns="http://www.w3.org/2000/svg"><path d="M25 0 L50 25 L75 0" stroke-width="0"></path></svg></div></section><section class="section swatch-grey-black section-short has-bottom "><div class="background-media"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-12 text-default"><h1 class="text-center normal light no-bordered-header">News</h1><div class="row "><div class="col-md-1 hidden-sm hidden-xs text-default"></div><div class="col-md-10 text-default"><div class="vc_empty_space" style="height: 16px"><span class="vc_empty_space_inner"></span></div> <div class="wprpsp-carousel-pro-slider-wrp wprpsp-clearfix homepage-events carousel-custom-vertical-wrp"> <div id="wprpsp-recent-post-carousel-1" class="wprpsp-recent-post-carousel slides-to-show-3 wprpsp-design-31 wprpsp-image-fit wprpsp-clearfix"> <div class="wprpsp-post-slides"> <div class="wprpsp-post-grid-cnt"> <div class="wprpsp-post-overlay"> <div class="wprpsp-medium-6 wprpsp-columns"> <div class="wprpsp-post-image-wrap wprpsp-post-image-bg" style="height:200px;"> <img src="https://qsartoolbox.org/file/2024/10/TB47.jpg" alt="TB47 - QSAR Toolbox" class="wprpsp-post-img" title="QSAR Toolbox"></div> <a class="wprpsp-post-link" href="https://qsartoolbox.org/event/new-oecd-qsar-toolbox-version-available/" target="_blank"></a> </div> <div class="wprpsp-medium-6 wprpsp-columns event-background"> <div class="wprpsp-post-short-cnt" style="height:200px;"> <div class="wprpsp-bottom-content"> <h2 class="wprpsp-post-title"> <a href="https://qsartoolbox.org/event/new-oecd-qsar-toolbox-version-available/" target="_blank">New OECD QSAR Toolbox version available</a> </h2> <div class="wprpsp-post-date"> </div> <div class="wprpsp-post-content"> <div>QSAR Toolbox 4.7 enhances and expands the use of metabolism information, increases capacity to search for analogues and improves reporting of a prediction from category approach or (Q)SAR models. Along with these new implementations, many system...</div> </div> </div> </div> </div> </div> </div> </div> <div class="wprpsp-post-slides"> <div class="wprpsp-post-grid-cnt"> <div class="wprpsp-post-overlay"> <div class="wprpsp-medium-6 wprpsp-columns"> <div class="wprpsp-post-image-wrap wprpsp-post-image-bg" style="height:200px;"> <img src="https://qsartoolbox.org/file/2023/10/QAF-2.png" alt="QAF 2 - QSAR Toolbox" class="wprpsp-post-img" title="QSAR Toolbox"></div> <a class="wprpsp-post-link" href="https://qsartoolbox.org/event/new-oecd-qsar-assessment-framework-guidance-for-assessing-qsar-models-and-predictions/" target="_blank"></a> </div> <div class="wprpsp-medium-6 wprpsp-columns event-background"> <div class="wprpsp-post-short-cnt" style="height:200px;"> <div class="wprpsp-bottom-content"> <h2 class="wprpsp-post-title"> <a href="https://qsartoolbox.org/event/new-oecd-qsar-assessment-framework-guidance-for-assessing-qsar-models-and-predictions/" target="_blank">New OECD (Q)SAR Assessment Framework: Guidance for assessing (Q)SAR models and predictions</a> </h2> <div class="wprpsp-post-date"> </div> <div class="wprpsp-post-content"> <div>The new Framework provides regulators with a consistent and transparent approach for reviewing the use of (Q)SAR predictions in a regulatory context and increases the confidence to accept alternative methods for evaluating chemical hazards.</div> </div> </div> </div> </div> </div> </div> </div> <div class="wprpsp-post-slides"> <div class="wprpsp-post-grid-cnt"> <div class="wprpsp-post-overlay"> <div class="wprpsp-medium-6 wprpsp-columns"> <div class="wprpsp-post-image-wrap wprpsp-post-image-bg" style="height:200px;"> <img src="https://qsartoolbox.org/file/2023/05/start-462.png" alt="start 462 - QSAR Toolbox" class="wprpsp-post-img" title="QSAR Toolbox"></div> <a class="wprpsp-post-link" href="https://qsartoolbox.org/event/new-qsar-toolbox-version-available/" target="_blank"></a> </div> <div class="wprpsp-medium-6 wprpsp-columns event-background"> <div class="wprpsp-post-short-cnt" style="height:200px;"> <div class="wprpsp-bottom-content"> <h2 class="wprpsp-post-title"> <a href="https://qsartoolbox.org/event/new-qsar-toolbox-version-available/" target="_blank">New QSAR Toolbox version available</a> </h2> <div class="wprpsp-post-date"> </div> <div class="wprpsp-post-content"> <div>New Toolbox version (v.4.6) is now available for download. QSAR Toolbox 4.6 enhances connectivity with IUCLID, increases capacity to use external models and improves access to information about tested substances in ECHA’s chemicals database. For the...</div> </div> </div> </div> </div> </div> </div> </div> <div class="wprpsp-post-slides"> <div class="wprpsp-post-grid-cnt"> <div class="wprpsp-post-overlay"> <div class="wprpsp-medium-6 wprpsp-columns"> <div class="wprpsp-post-image-wrap wprpsp-post-image-bg" style="height:200px;"> <img src="https://qsartoolbox.org/file/2019/02/profiling2.jpg" alt="profiling2 - QSAR Toolbox" class="wprpsp-post-img" title="QSAR Toolbox"></div> <a class="wprpsp-post-link" href="https://qsartoolbox.org/event/apache-log4j2-vulnerability-does-not-affect-the-toolbox/" target="_blank"></a> </div> <div class="wprpsp-medium-6 wprpsp-columns event-background"> <div class="wprpsp-post-short-cnt" style="height:200px;"> <div class="wprpsp-bottom-content"> <h2 class="wprpsp-post-title"> <a href="https://qsartoolbox.org/event/apache-log4j2-vulnerability-does-not-affect-the-toolbox/" target="_blank">Apache Log4j2 vulnerability does not affect the Toolbox</a> </h2> <div class="wprpsp-post-date"> </div> <div class="wprpsp-post-content"> <div>We would like to inform you that neither the QSAR Toolbox itself (including the WebAPI and Web Client) nor any related services (qsartoolbox.org, Toolbox Repository) are affected by the Log4j2 vulnerability.</div> </div> </div> </div> </div> </div> </div> </div> <div class="wprpsp-post-slides"> <div class="wprpsp-post-grid-cnt"> <div class="wprpsp-post-overlay"> <div class="wprpsp-medium-6 wprpsp-columns"> <div class="wprpsp-post-image-wrap wprpsp-post-image-bg" style="height:200px;"> <img src="https://qsartoolbox.org/file/2021/09/TB45-initialization-window.png" alt="TB45 initialization window - QSAR Toolbox" class="wprpsp-post-img" title="QSAR Toolbox"></div> <a class="wprpsp-post-link" href="http:/storage.oasis-lmc.org/_ALL_/Toolbox/4.5/Toolbox4.5_Release_Notes.pdf" target="_blank"></a> </div> <div class="wprpsp-medium-6 wprpsp-columns event-background"> <div class="wprpsp-post-short-cnt" style="height:200px;"> <div class="wprpsp-bottom-content"> <h2 class="wprpsp-post-title"> <a href="http:/storage.oasis-lmc.org/_ALL_/Toolbox/4.5/Toolbox4.5_Release_Notes.pdf" target="_blank">QSAR Toolbox 4.5 is now available for download</a> </h2> <div class="wprpsp-post-date"> </div> <div class="wprpsp-post-content"> <div>Version 4.5 of the QSAR Toolbox is available for download. New features of the QSAR Toolbox version 4.5 include: Automated AW for Skin sensitization for Defined approaches (DASSAW) purposes – included automated check for domain affiliation...</div> </div> </div> </div> </div> </div> </div> </div> <div class="wprpsp-post-slides"> <div class="wprpsp-post-grid-cnt"> <div class="wprpsp-post-overlay"> <div class="wprpsp-medium-6 wprpsp-columns"> <div class="wprpsp-post-image-wrap wprpsp-post-image-bg" style="height:200px;"> <img src="https://qsartoolbox.org/file/2020/02/TB44.png" alt="TB44 - QSAR Toolbox" class="wprpsp-post-img" title="QSAR Toolbox"></div> <a class="wprpsp-post-link" href="https://qsartoolbox.org/download/redirect/?vid=44" target="_blank"></a> </div> <div class="wprpsp-medium-6 wprpsp-columns event-background"> <div class="wprpsp-post-short-cnt" style="height:200px;"> <div class="wprpsp-bottom-content"> <h2 class="wprpsp-post-title"> <a href="https://qsartoolbox.org/download/redirect/?vid=44" target="_blank">An updated version of the QSAR Toolbox 4.4 was released</a> </h2> <div class="wprpsp-post-date"> 15 Аpril 2020 </div> <div class="wprpsp-post-content"> <div>The QSAR Toolbox 4.4.1 includes the following updates: • The metadata from ECHA REACH studies included in the reports (after installing the plug-in from the repository) has been expanded and aligned to the content of the...</div> </div> </div> </div> </div> </div> </div> </div> <div class="wprpsp-post-slides"> <div class="wprpsp-post-grid-cnt"> <div class="wprpsp-post-overlay"> <div class="wprpsp-medium-6 wprpsp-columns"> <div class="wprpsp-post-image-wrap wprpsp-post-image-bg" style="height:200px;"> <img src="https://qsartoolbox.org/file/2020/02/TB44.png" alt="TB44 - QSAR Toolbox" class="wprpsp-post-img" title="QSAR Toolbox"></div> <a class="wprpsp-post-link" href="https://qsartoolbox.org/download/" target="_blank"></a> </div> <div class="wprpsp-medium-6 wprpsp-columns event-background"> <div class="wprpsp-post-short-cnt" style="height:200px;"> <div class="wprpsp-bottom-content"> <h2 class="wprpsp-post-title"> <a href="https://qsartoolbox.org/download/" target="_blank">QSAR Toolbox 4.4 is now available for download</a> </h2> <div class="wprpsp-post-date"> </div> <div class="wprpsp-post-content"> <div>Version 4.4 of the QSAR Toolbox is available for download. New features of the QSAR Toolbox version 4.4 include: New Simplified Toolbox interface to introduce new users to the Toolbox. Data, profiler and metabolic results, as well...</div> </div> </div> </div> </div> </div> </div> </div> <div class="wprpsp-post-slides"> <div class="wprpsp-post-grid-cnt"> <div class="wprpsp-post-overlay"> <div class="wprpsp-medium-6 wprpsp-columns"> <div class="wprpsp-post-image-wrap wprpsp-post-image-bg" style="height:200px;"> <img src="https://qsartoolbox.org/file/2019/08/Figure7.JPG.jpg" alt="Figure7.JPG - QSAR Toolbox" class="wprpsp-post-img" title="QSAR Toolbox"></div> <a class="wprpsp-post-link" href="https://doi.org/10.1016/j.comtox.2019.100102" target="_blank"></a> </div> <div class="wprpsp-medium-6 wprpsp-columns event-background"> <div class="wprpsp-post-short-cnt" style="height:200px;"> <div class="wprpsp-bottom-content"> <h2 class="wprpsp-post-title"> <a href="https://doi.org/10.1016/j.comtox.2019.100102" target="_blank">Using metabolic information for categorization and read-across in the OECD QSAR Toolbox</a> </h2> <div class="wprpsp-post-date"> </div> <div class="wprpsp-post-content"> <div>Find out more about the metabolic information in Toolbox and how it could be used for searching analogues or precursors of a target chemical and read-across purposes in the next new paper focused on Toolbox</div> </div> </div> </div> </div> </div> </div> </div> <div class="wprpsp-post-slides"> <div class="wprpsp-post-grid-cnt"> <div class="wprpsp-post-overlay"> <div class="wprpsp-medium-6 wprpsp-columns"> <div class="wprpsp-post-image-wrap wprpsp-post-image-bg" style="height:200px;"> <img src="https://qsartoolbox.org/file/2019/04/raaf.jpg" alt="raaf - QSAR Toolbox" class="wprpsp-post-img" title="QSAR Toolbox"></div> <a class="wprpsp-post-link" href="https://doi.org/10.1016/j.yrtph.2019.03.018" target="_blank"></a> </div> <div class="wprpsp-medium-6 wprpsp-columns event-background"> <div class="wprpsp-post-short-cnt" style="height:200px;"> <div class="wprpsp-bottom-content"> <h2 class="wprpsp-post-title"> <a href="https://doi.org/10.1016/j.yrtph.2019.03.018" target="_blank">The implementation of RAAF in the OECD QSAR Toolbox</a> </h2> <div class="wprpsp-post-date"> </div> <div class="wprpsp-post-content"> <div>This is the latest of the series papers focused on the main Toolbox functionalities is already available online! You could see more about the implementation of RAAF in  OECD QSAR Toolbox here: https://doi.org/10.1016/j.yrtph.2019.03.018</div> </div> </div> </div> </div> </div> </div> </div> <div class="wprpsp-post-slides"> <div class="wprpsp-post-grid-cnt"> <div class="wprpsp-post-overlay"> <div class="wprpsp-medium-6 wprpsp-columns"> <div class="wprpsp-post-image-wrap wprpsp-post-image-bg" style="height:200px;"> <img src="https://qsartoolbox.org/file/2019/03/cat-cons_res.jpg" alt="cat cons res - QSAR Toolbox" class="wprpsp-post-img" title="QSAR Toolbox"></div> <a class="wprpsp-post-link" href="https://doi.org/10.1016/j.comtox.2019.03.002" target="_blank"></a> </div> <div class="wprpsp-medium-6 wprpsp-columns event-background"> <div class="wprpsp-post-short-cnt" style="height:200px;"> <div class="wprpsp-bottom-content"> <h2 class="wprpsp-post-title"> <a href="https://doi.org/10.1016/j.comtox.2019.03.002" target="_blank">New paper on category consistency in the OECD QSAR Toolbox</a> </h2> <div class="wprpsp-post-date"> 18 March 2019 </div> <div class="wprpsp-post-content"> <div>Category consistency in the OECD QSAR Toolbox: assessment and reporting tool to justify read-across is the next paper of the series papers focused on the new functionalities in QSAR Toolbox. In the paper one could find...</div> </div> </div> </div> </div> </div> </div> </div> <div class="wprpsp-post-slides"> <div class="wprpsp-post-grid-cnt"> <div class="wprpsp-post-overlay"> <div class="wprpsp-medium-6 wprpsp-columns"> <div class="wprpsp-post-image-wrap wprpsp-post-image-bg" style="height:200px;"> <img src="https://qsartoolbox.org/file/2018/09/Graph_abstract_Workflows_paper-1.jpg-1.jpg" alt="Graph abstract Workflows paper 1.jpg 1 - QSAR Toolbox" class="wprpsp-post-img" title="QSAR Toolbox"></div> <a class="wprpsp-post-link" href="https://doi.org/10.1016/j.comtox.2019.01.006" target="_blank"></a> </div> <div class="wprpsp-medium-6 wprpsp-columns event-background"> <div class="wprpsp-post-short-cnt" style="height:200px;"> <div class="wprpsp-bottom-content"> <h2 class="wprpsp-post-title"> <a href="https://doi.org/10.1016/j.comtox.2019.01.006" target="_blank">New paper on the Automated and Standardized workflows in QSAR Toolbox</a> </h2> <div class="wprpsp-post-date"> 21 January 2019 </div> <div class="wprpsp-post-content"> <div>How the Automated and standardized workflows in Toolbox are developed? What is the logic behind? Find out more in the Automated and Standardized workflows in QSAR Toolbox - one of the series papers on the new functionalities...</div> </div> </div> </div> </div> </div> </div> </div> <div class="wprpsp-post-slides"> <div class="wprpsp-post-grid-cnt"> <div class="wprpsp-post-overlay"> <div class="wprpsp-medium-6 wprpsp-columns"> <div class="wprpsp-post-image-wrap wprpsp-post-image-bg" style="height:200px;"> <img src="https://qsartoolbox.org/file/2019/01/ap.png" alt="ap - QSAR Toolbox" class="wprpsp-post-img" title="QSAR Toolbox"></div> <a class="wprpsp-post-link" href="https://doi.org/10.1016/j.comtox.2018.12.003" target="_blank"></a> </div> <div class="wprpsp-medium-6 wprpsp-columns event-background"> <div class="wprpsp-post-short-cnt" style="height:200px;"> <div class="wprpsp-bottom-content"> <h2 class="wprpsp-post-title"> <a href="https://doi.org/10.1016/j.comtox.2018.12.003" target="_blank">New paper on Alert performance in QSAR Toolbox</a> </h2> <div class="wprpsp-post-date"> May 2019 </div> <div class="wprpsp-post-content"> <div>What is “Alert performance” in the context of Toolbox? When and how the Alert performance could help you? Find out more in the "Alert performance functionality in the OECD QSAR Toolbox" - one of the series...</div> </div> </div> </div> </div> </div> </div> </div> <div class="wprpsp-post-slides"> <div class="wprpsp-post-grid-cnt"> <div class="wprpsp-post-overlay"> <div class="wprpsp-medium-6 wprpsp-columns"> <div class="wprpsp-post-image-wrap wprpsp-post-image-bg" style="height:200px;"> <img src="https://qsartoolbox.org/file/2019/02/start-2.jpg" alt="start 2 - QSAR Toolbox" class="wprpsp-post-img" title="QSAR Toolbox"></div> <a class="wprpsp-post-link" href="http://www.oecd.org/chemicalsafety/risk-assessment/oecd-qsar-toolbox.htm" target="_blank"></a> </div> <div class="wprpsp-medium-6 wprpsp-columns event-background"> <div class="wprpsp-post-short-cnt" style="height:200px;"> <div class="wprpsp-bottom-content"> <h2 class="wprpsp-post-title"> <a href="http://www.oecd.org/chemicalsafety/risk-assessment/oecd-qsar-toolbox.htm" target="_blank">OECD launches QSAR Toolbox 4.3</a> </h2> <div class="wprpsp-post-date"> 15 February 2019 </div> <div class="wprpsp-post-content"> <div>Some of the new features in Toolbox include: 57 databases with almost 2.5 million measured data points - 2 new databases and the latest versions of EChA CHEM and ECOTOX databases are included 73 profiling schemes...</div> </div> </div> </div> </div> </div> </div> </div> </div> <div class="wprpsp-slider-conf" data-conf='{"custom_vertical":"true","dots":"false","arrows":"true","autoplay":"true","autoplay_interval":"9000","speed":300,"slides_to_show":"3","slides_to_scroll":1,"infinite":"false","rtl":"false","custom_vertical_prev_id":"carousel_custom_vertical_prev_1","custom_vertical_next_id":"carousel_custom_vertical_next_1"}'></div> </div> <div class="carousel-custom-vertical-nav-cont"> <button id="carousel_custom_vertical_prev_1" class="carousel-custom-vertical-prev"></button> <button id="carousel_custom_vertical_next_1" class="carousel-custom-vertical-next"></button> </div> <div class="vc_empty_space" style="height: 32px"><span class="vc_empty_space_inner"></span></div> </div><div class="col-md-1 hidden-sm hidden-xs text-default"></div></div></div></div></div><div class="decor-bottom"><svg class="decor" height="120px" preserveaspectratio="none" style="height: 120px !important;" version="1.1" viewbox="0 0 100 100" width="240px" xmlns="http://www.w3.org/2000/svg"><path d="M25 0 L50 25 L75 0" stroke-width="0"></path></svg></div></section><section class="section swatch-white-black section-short has-bottom color-fix"><div class="background-media"></div><div class="background-overlay" style=""></div><div class="container"><div class="row vertical-top"><div class="col-md-12 text-default"><h1 class="text-center normal light no-bordered-header">WHAT USERS SAY ABOUT THE TOOLBOX</h1><div class="row "><div class="col-md-1 text-default"></div><div class="col-md-10 text-default"><div class="vc_empty_space" style="height: 50px"><span class="vc_empty_space_inner"></span></div> <div id="flexslider-50" class="flexslider feature-slider" data-flex-animation="slide" data-flex-controls-position="inside" data-flex-directions="hide" data-flex-speed="9000" data-flex-controls="hide" data-flex-slideshow="true"> <ul class="slides list-unstyled"><li> <blockquote class="fancy-blockquote"> <div class="row"> <div class="col-md-3 text-center"> <div class="visible-lg visible-md"> <div class="box-square box-big"><div class="box-dummy"></div><div class="box-inner"><img width="300" height="300" src="https://qsartoolbox.org/file/2018/10/inovyn2-300x300.png" class="attachment-square-image-small size-square-image-small wp-post-image" alt="inovyn2 300x300 - QSAR Toolbox" srcset="https://qsartoolbox.org/file/2018/10/inovyn2-300x300.png 300w, https://qsartoolbox.org/file/2018/10/inovyn2-150x150.png 150w, https://qsartoolbox.org/file/2018/10/inovyn2.png 400w" sizes="(max-width: 300px) 100vw, 300px" title="QSAR Toolbox"></div></div> </div> <small class="visible-lg visible-md">INOVYN </small> </div> <div class="col-md-9"> <div class="margin-top-10"> <i class="quote">"</i> </div> <p><i>REACH Draft decision notification was received from ECHA to submit further information on the registered </i><i>substance […] </i><i>for activity as an endocrine (ED) disrupting chemical. We therefore conducted an exploratory in silico investigation using the QSAR toolbox. </i> </p> <div class="pull-right"> <i class="quote">"</i> </div> <small class="visible-sm visible-xs">INOVYN </small> </div> </div> </blockquote> </li> <li> <blockquote class="fancy-blockquote"> <div class="row"> <div class="col-md-3 text-center"> <div class="visible-lg visible-md"> <div class="box-square box-big"><div class="box-dummy"></div><div class="box-inner"><img width="300" height="300" src="https://qsartoolbox.org/file/2018/09/knoell2-300x300.png" class="attachment-square-image-small size-square-image-small wp-post-image" alt="knoell2 300x300 - QSAR Toolbox" srcset="https://qsartoolbox.org/file/2018/09/knoell2-300x300.png 300w, https://qsartoolbox.org/file/2018/09/knoell2-150x150.png 150w, https://qsartoolbox.org/file/2018/09/knoell2.png 400w" sizes="(max-width: 300px) 100vw, 300px" title="QSAR Toolbox"></div></div> </div> <small class="visible-lg visible-md">Knoell Germany </small> </div> <div class="col-md-9"> <div class="margin-top-10"> <i class="quote">"</i> </div> <p><i>Biocides (Regulation (EC) No 528/2012 and agrochemicals</i><i>: [….] Here </i><i>the Toolbox profiling of known </i><i>impurites</i><i> or metabolites was performed in order to evaluate their toxicity potential (including </i><i>ecotoxicity</i><i>, PBT assessment) for comparison with the parent substance</i><i>.</i> </p> <div class="pull-right"> <i class="quote">"</i> </div> <small class="visible-sm visible-xs">Knoell Germany </small> </div> </div> </blockquote> </li> <li> <blockquote class="fancy-blockquote"> <div class="row"> <div class="col-md-3 text-center"> <div class="visible-lg visible-md"> <div class="box-square box-big"><div class="box-dummy"></div><div class="box-inner"><img width="300" height="300" src="https://qsartoolbox.org/file/2019/02/NICNAS-1-300x300.png" class="attachment-square-image-small size-square-image-small wp-post-image" alt="NICNAS 1 300x300 - QSAR Toolbox" srcset="https://qsartoolbox.org/file/2019/02/NICNAS-1-300x300.png 300w, https://qsartoolbox.org/file/2019/02/NICNAS-1-150x150.png 150w, https://qsartoolbox.org/file/2019/02/NICNAS-1.png 600w" sizes="(max-width: 300px) 100vw, 300px" title="QSAR Toolbox"></div></div> </div> <small class="visible-lg visible-md">NICNAS Australia </small> </div> <div class="col-md-9"> <div class="margin-top-10"> <i class="quote">"</i> </div> <p><i>QSAR </i><i>Toolbox is used widely in the screening and risk assessment of several chemicals under the IMAP framework. Available endpoints from the Toolbox databases are gathered to determine human health and environmental hazards</i><i>.</i> </p> <div class="pull-right"> <i class="quote">"</i> </div> <small class="visible-sm visible-xs">NICNAS Australia </small> </div> </div> </blockquote> </li> <li> <blockquote class="fancy-blockquote"> <div class="row"> <div class="col-md-3 text-center"> <div class="visible-lg visible-md"> <div class="box-square box-big"><div class="box-dummy"></div><div class="box-inner"><img width="300" height="300" src="https://qsartoolbox.org/file/2018/09/MarkBonnell-300x300.png" class="attachment-square-image-small size-square-image-small wp-post-image" alt="MarkBonnell 300x300 - QSAR Toolbox" srcset="https://qsartoolbox.org/file/2018/09/MarkBonnell-300x300.png 300w, https://qsartoolbox.org/file/2018/09/MarkBonnell-150x150.png 150w, https://qsartoolbox.org/file/2018/09/MarkBonnell.png 600w" sizes="(max-width: 300px) 100vw, 300px" title="QSAR Toolbox"></div></div> </div> <small class="visible-lg visible-md">Mark Bonnell (Environment and Climate Change Canada) </small> </div> <div class="col-md-9"> <div class="margin-top-10"> <i class="quote">"</i> </div> <p>Environment and Climate Change Canada (ECCC) have been applying the OECD QSAR Toolbox since its first version became available. Our primary use of the Toolbox has been for ecological risk assessment and ecological prioritization of organic chemicals for further assessment. […] ECCC believes the international success of the ERC as a new approach to prioritization could not have happened without the OECD QSAR Toolbox. </p> <div class="pull-right"> <i class="quote">"</i> </div> <small class="visible-sm visible-xs">Mark Bonnell (Environment and Climate Change Canada) </small> </div> </div> </blockquote> </li> <li> <blockquote class="fancy-blockquote"> <div class="row"> <div class="col-md-3 text-center"> <div class="visible-lg visible-md"> <div class="box-square box-big"><div class="box-dummy"></div><div class="box-inner"><img width="300" height="300" src="https://qsartoolbox.org/file/2018/09/FlorianSchmidt-300x300.png" class="attachment-square-image-small size-square-image-small wp-post-image" alt="FlorianSchmidt 300x300 - QSAR Toolbox" srcset="https://qsartoolbox.org/file/2018/09/FlorianSchmidt-300x300.png 300w, https://qsartoolbox.org/file/2018/09/FlorianSchmidt-150x150.png 150w, https://qsartoolbox.org/file/2018/09/FlorianSchmidt.png 600w" sizes="(max-width: 300px) 100vw, 300px" title="QSAR Toolbox"></div></div> </div> <small class="visible-lg visible-md">Florian Schmidt (BASF) </small> </div> <div class="col-md-9"> <div class="margin-top-10"> <i class="quote">"</i> </div> <p>The Toolbox is gaining importance in a regulatory context. Both as additional source of information to build categories/find data etc. and as predicting tool for a specific endpoint. However, to use its full potential the overall acceptance must increase especially when its used to fill data gaps. </p> <div class="pull-right"> <i class="quote">"</i> </div> <small class="visible-sm visible-xs">Florian Schmidt (BASF) </small> </div> </div> </blockquote> </li> <li> <blockquote class="fancy-blockquote"> <div class="row"> <div class="col-md-3 text-center"> <div class="visible-lg visible-md"> <div class="box-square box-big"><div class="box-dummy"></div><div class="box-inner"><img width="300" height="300" src="https://qsartoolbox.org/file/2019/02/JJFdeAlmeidaFonseca-300x300.png" class="attachment-square-image-small size-square-image-small wp-post-image" alt="JJFdeAlmeidaFonseca 300x300 - QSAR Toolbox" srcset="https://qsartoolbox.org/file/2019/02/JJFdeAlmeidaFonseca-300x300.png 300w, https://qsartoolbox.org/file/2019/02/JJFdeAlmeidaFonseca-150x150.png 150w, https://qsartoolbox.org/file/2019/02/JJFdeAlmeidaFonseca.png 600w" sizes="(max-width: 300px) 100vw, 300px" title="QSAR Toolbox"></div></div> </div> <small class="visible-lg visible-md">Jeane-Jaqueline-Françoise de Almeida Fonseca (ANVISA – Brazil) </small> </div> <div class="col-md-9"> <div class="margin-top-10"> <i class="quote">"</i> </div> <p><i>In accordance with </i><i>brazilian</i><i> law for pesticides registers based in equivalence criteria, as established by FAO, we use Tool box and other expert system as weight of evidence for asking long term studies or avoid them</i><i>.</i> </p> <div class="pull-right"> <i class="quote">"</i> </div> <small class="visible-sm visible-xs">Jeane-Jaqueline-Françoise de Almeida Fonseca (ANVISA – Brazil) </small> </div> </div> </blockquote> </li> <li> <blockquote class="fancy-blockquote"> <div class="row"> <div class="col-md-3 text-center"> <div class="visible-lg visible-md"> <div class="box-square box-big"><div class="box-dummy"></div><div class="box-inner"><img width="300" height="300" src="https://qsartoolbox.org/file/2018/10/DrMach2-300x300.png" class="attachment-square-image-small size-square-image-small wp-post-image" alt="DrMach2 300x300 - QSAR Toolbox" srcset="https://qsartoolbox.org/file/2018/10/DrMach2-300x300.png 300w, https://qsartoolbox.org/file/2018/10/DrMach2-150x150.png 150w, https://qsartoolbox.org/file/2018/10/DrMach2.png 400w" sizes="(max-width: 300px) 100vw, 300px" title="QSAR Toolbox"></div></div> </div> <small class="visible-lg visible-md">DR MACH Chemical Compliance & Competence </small> </div> <div class="col-md-9"> <div class="margin-top-10"> <i class="quote">"</i> </div> <p><i>Mostly </i><i>we </i><i>use the OECD QSAR Toolbox within 1223/2009 to search toxicological information on new raw materials for the use in </i><i>cosmetics</i><i>. The purpose is risk assessment of a raw material in a cosmetic product.</i> </p> <div class="pull-right"> <i class="quote">"</i> </div> <small class="visible-sm visible-xs">DR MACH Chemical Compliance & Competence </small> </div> </div> </blockquote> </li> <li> <blockquote class="fancy-blockquote"> <div class="row"> <div class="col-md-3 text-center"> <div class="visible-lg visible-md"> <div class="box-square box-big"><div class="box-dummy"></div><div class="box-inner"><img width="300" height="300" src="https://qsartoolbox.org/file/2019/02/RIFM-2-300x300.png" class="attachment-square-image-small size-square-image-small wp-post-image" alt="RIFM 2 300x300 - QSAR Toolbox" srcset="https://qsartoolbox.org/file/2019/02/RIFM-2-300x300.png 300w, https://qsartoolbox.org/file/2019/02/RIFM-2-150x150.png 150w, https://qsartoolbox.org/file/2019/02/RIFM-2.png 600w" sizes="(max-width: 300px) 100vw, 300px" title="QSAR Toolbox"></div></div> </div> <small class="visible-lg visible-md">RIFM </small> </div> <div class="col-md-9"> <div class="margin-top-10"> <i class="quote">"</i> </div> <p><i>We are currently using the OECD </i><i>ToolBox</i><i> as a critical component of our Safety Assessment program</i><i>.</i> </p> <div class="pull-right"> <i class="quote">"</i> </div> <small class="visible-sm visible-xs">RIFM </small> </div> </div> </blockquote> </li> <li> <blockquote class="fancy-blockquote"> <div class="row"> <div class="col-md-3 text-center"> <div class="visible-lg visible-md"> <div class="box-square box-big"><div class="box-dummy"></div><div class="box-inner"><img width="300" height="300" src="https://qsartoolbox.org/file/2019/02/MRooseboom-300x300.png" class="attachment-square-image-small size-square-image-small wp-post-image" alt="MRooseboom 300x300 - QSAR Toolbox" srcset="https://qsartoolbox.org/file/2019/02/MRooseboom-300x300.png 300w, https://qsartoolbox.org/file/2019/02/MRooseboom-150x150.png 150w, https://qsartoolbox.org/file/2019/02/MRooseboom.png 600w" sizes="(max-width: 300px) 100vw, 300px" title="QSAR Toolbox"></div></div> </div> <small class="visible-lg visible-md">M. Rooseboom (Shell) </small> </div> <div class="col-md-9"> <div class="margin-top-10"> <i class="quote">"</i> </div> <p><i>We have used the QSAR toolbox in various cases for internal prioritization of chemicals in the pipeline (to remove bad actors). For example for fuel additives.</i> </p> <div class="pull-right"> <i class="quote">"</i> </div> <small class="visible-sm visible-xs">M. Rooseboom (Shell) </small> </div> </div> </blockquote> </li> <li> <blockquote class="fancy-blockquote"> <div class="row"> <div class="col-md-3 text-center"> <div class="visible-lg visible-md"> <div class="box-square box-big"><div class="box-dummy"></div><div class="box-inner"><img width="300" height="300" src="https://qsartoolbox.org/file/2019/02/RavinderMenon-300x300.png" class="attachment-square-image-small size-square-image-small wp-post-image" alt="RavinderMenon 300x300 - QSAR Toolbox" srcset="https://qsartoolbox.org/file/2019/02/RavinderMenon-300x300.png 300w, https://qsartoolbox.org/file/2019/02/RavinderMenon-150x150.png 150w, https://qsartoolbox.org/file/2019/02/RavinderMenon.png 600w" sizes="(max-width: 300px) 100vw, 300px" title="QSAR Toolbox"></div></div> </div> <small class="visible-lg visible-md">Ravinder Menon (Afton Chemical Corporation) </small> </div> <div class="col-md-9"> <div class="margin-top-10"> <i class="quote">"</i> </div> <p>Regulatory authority: EU's OSPAR Commission A UVCB substance had to be assessed for its bioaccumulation potential […..] After some technical discussions, CEFAS, the UK authority responsible for implementing OSPAR regulation, accepted our prediction and approval was granted for chemical in question. This lead to the launch of a proprietary product for North Sea applications. </p> <div class="pull-right"> <i class="quote">"</i> </div> <small class="visible-sm visible-xs">Ravinder Menon (Afton Chemical Corporation) </small> </div> </div> </blockquote> </li> </ul></div><div class="theme-flex-direction-nav"> <a href="#" onclick="jQuery('#flexslider-50').flexslider('prev');return false;" class="theme-flex-prev"></a> <a href="#" onclick="jQuery('#flexslider-50').flexslider('next');return false;" class="theme-flex-next"></a> </div> </div><div class="col-md-1 text-default"></div></div></div></div></div><div class="decor-bottom"><svg class="decor" height="120px" preserveaspectratio="none" style="height: 120px !important;" version="1.1" viewbox="0 0 100 100" width="240px" xmlns="http://www.w3.org/2000/svg"><path d="M25 0 L50 25 L75 0" stroke-width="0"></path></svg></div></section> <span class="hide"></span></article> <footer id="footer" role="contentinfo"> <section class="section swatch-black-white section-tiny "> <div class="container"> <div class="row"> <div class="col-md-12 text-center"> <div class="footer-menu-container margin-top-30 margin-bottom-20 hidden-xs"> <ul class="footer-menu"> <li class="footer-menu-item"><a href="https://qsartoolbox.org/about/"> About </a></li> <li class="footer-menu-item"><a href="/features/input/"> Features </a></li> <li class="footer-menu-item"><a href="/resources/databases/"> Resources </a></li> <li class="footer-menu-item"><a href="https://qsartoolbox.org/support/"> Support </a></li> <li class="footer-menu-item"><a href="/developers/api/"> Developers </a></li> <li class="footer-menu-item"><a href="https://repository.qsartoolbox.org/" target="_blank"> Repository </a></li> </ul> </div> <div class="footer-download-container margin-bottom-50 hidden-xs"> <div class="text-center"> <a class="btn-qsar-white-big" href="https://qsartoolbox.org/download/"> DOWNLOAD LATEST VERSION </a> </div> </div> <div class="footer-logo-container"> <div class="visible-xs"> <div class="margin-top-40"></div> </div> <div class="text-center"> <div class="row"> <div class="col-lg-8 col-lg-offset-2 col-sm-10 col-sm-offset-1"> <div class="row"> <div class="col-xs-4"> <a class="footer-logo-item" href="//www.oecd.org/" target="_blank" > <img class="footer-logo" src="https://qsartoolbox.org/skin/assets/images/footer/Footer-Logo-OECD.png" alt="OECD" /> </a> </div> <div class="col-xs-4"> <a class="footer-logo-item" href="//echa.europa.eu/" target="_blank" > <img class="footer-logo" src="https://qsartoolbox.org/skin/assets/images/footer/Footer-Logo-ECHA.png" alt="ECHA" /> </a> </div> <div class="col-xs-4"> <a class="footer-logo-item" href="//oasis-lmc.org/" target="_blank" > <img class="footer-logo" src="https://qsartoolbox.org/skin/assets/images/footer/Footer-Logo-ASIS.png" alt="ASIS" /> </a> </div> </div> </div> </div> </div> </div> <div class="footer-menu-container footer-policy-container"> <ul class="footer-menu"> <li class="footer-menu-item"><a href="http://www.oecd.org/document/0,3343,en_2649_201185_1899066_1_1_1_1,00.html"> OECD Terms & Conditions </a></li> <li class="footer-menu-item"><a href="http://echa.europa.eu/legal-notice"> ECHA Legal notice </a></li>  </ul> </div> <div class="footer-copyright-container"> Copyright © 2025 Organisation for Economic Co-operation and Development & European Chemicals Agency </div> </div> </div> </div> </section> </footer> <a href="javascript:void(0)" class="go-top hex-alt"> <i class="fa fa-angle-up"> </i> </a> </div> <script type='text/javascript' src='https://qsartoolbox.org/ext/frontend-reset-password/assets/js/password-lost.js'></script> <script type='text/javascript'> /* <![CDATA[ */ var ctcc_vars = {"expiry":"30","method":"1","version":"1"}; 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