Gisbert Schneider: De novo Design
Автор: NCATS NIH
Загружено: 2025-12-10
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In this In Silico Drug Discovery Workshop talk from October 23, 2024, Dr. Gisbert Schneider discusses how rule-based de novo design performs effectively and reliably in scenarios with limited data. Gisbert Schneider is a full professor of Computer-Assisted Drug Design at ETH Zurich. His research focuses on the integration of artificial intelligence and machine-learning methods into modern drug discovery. His career has led him from the Pharmaceuticals Division at Roche to academia, initially to the Goethe-University in Frankfurt where he held the Beilstein Endowed Chair of Chem- and Bioinformatics, and then to his current position at ETH Zurich. He is an elected Fellow of the University of Tokyo. Gisbert introduced the concept of adaptive, AI-based drug design to medicinal chemistry and coined the terms "scaffold hopping" and "frequent hitter". He has published over 450 scientific papers, co-founded several start-up companies, and is a consultant to the chemical and life science industry.
For more information about the Assay Guidance Manual eBook, workshops, and webinars, visit https://ncats.nih.gov/research/resear....
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