NIPS 2018 Expo Workshop

Nov. 28, 2022

Expo 2018 Schedule »

Machine Learning for Drug discovery and Biomarker development

Sponsor: Insilico Medicine, Inc.

Alex Zhebrak (Insilico Medicine), Thomas Kipf (University of Amsterdam), Daniil Polykovskiy (Insilico Medicine), Benjamin Sanchez-Lengeling (Harvard University), Polina Mamoshina (Oxford University)


Insilico Medicine is one of the leaders in the field of machine learning for drug discovery and aging research. In this workshop, we will discuss how scientists apply novel machine learning models and techniques to accelerate drug discovery and biomarker developmentā€”a rapidly emerging field that holds the potential to disrupt the pharmaceutical industry. We will review several impactful research papers, recent advancements, and new challenges in the field. We will also organize a discussion about different representations of molecular entities and available frameworks and benchmarks for de-novo drug discovery problem.

This workshop is a chance to bring machine learning, chemistry, and bioinformatics researchers together to discuss challenging problems of Drug Discovery and Biomarker Development.

14:00-14:30 Alex Zhebrak, Insilico Medicine Introduction to Insilico Medicine and machine learning for drug discovery

14:30-15:00 Thomas Kipf, University of Amsterdam Structured deep models: Deep learning on graphs and beyond

15:00-15:30 Benjamin Sanchez-Lengeling, Harvard University </p> <p>15:30-16:00 Polina Mamoshina, University of Oxford Machine learning for biomarkers of drug responses and human aging</p> <p>16:00-16:30 Coffee Break</p> <p>16:30-17:30 Daniil Polykovskiy, Insilico Medicine Generative models for drug discovery</p> <p>17:30-18:10 Alex Zhavoronkov, Insilico Medicine Fight Aging to Defeat Cancer</p> <p>18:10-18:30 Open Discussion</p> </div> </div> </div> </main> <!--END BLOCK CONTENT--> </div><!--/row--> </div><!--/Page.container--> <!--Footer for the edit button--> <script src="/static/core/bootstrap-wizard/src/bootstrap-wizard.js" type="text/javascript"></script> <script> /* Set up the feedback button with the correct URL for this page. */ /*Get the URL for this page and parse out just the path part*/ feedbackPath = "/Help/Feedback?path=" + encodeURIComponent(location.protocol + "//" + location.hostname + ":" + location.port + location.pathname + location.search); /*Poke that as the hrefinto the button*/ $("#feedback").attr("href", feedbackPath); $(function () { if ($(".editable").length == 0) { $("#editFooter").hide(); } }) </script> <!-- Bootstrap core JavaScript ================================================== --> <!-- Placed at the end of the document so the pages load faster --> <script src="/static/core/js/fastclick.min.js" type="text/javascript"></script> <script> $(document).ready(function () { $('[data-toggle=offcanvas]').click(function () { $('.row-offcanvas').toggleClass('active'); }); }); </script> <script src="/static/core/glyphicons_pro/glyphicons/web/html_css/scripts/modernizr.js" type="text/javascript" charset="utf-8"></script> <!--We don't know if there are editable tags on the page until after the django template engine has rendered the page. 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