Gerard van Westen

Professor of AI & Medicinal Chemistry, Leiden University

Prof. Gerard van Westen (40, Leiden University) combines research in drug discovery with artificial intelligence (AI). He is a worldwide expert in machine learning on combined chemical and biological data. In his lab, language-based models are used to design (generate) new molecular structures with a desired activity and toxicity profiles that are subsequently synthesized in the wet lab. Moreover, structure-based approaches are used to gain a mechanistic insight in the molecular interaction between small molecule ligands and (membrane bound) protein targets. Here dynamical methods are created that are subsequently analyzed using AI approaches to design and improve small molecule ligands. Finally, multi-scale models are used to generate bioactivity spectra to identify on and off targets of uncharacterized ligands. Prof. van Westen studied biopharmaceutical sciences in Leiden, obtained his PhD in Leiden on a project funded by Janssen Pharmaceutica, and did a postdoc in Cambridge at the European Bioinformatics Institute. Van Westen has > 110 publications, an h-Index of 34, and a total of >5000 citations (Google Scholar). Major grants/prizes/honors: Marie Curie postdoc fellowship, NWO VENI grant, Leiden University Discoverer of the year 2013, multiple European and Dutch National consortia.

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