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SUMMARY:CIS Seminar: "Graph representation learning for drug discovery"
DESCRIPTION:The current pandemic highlights an acute need to develop fast therapeutics against health threats. Traditional approaches to drug discovery are expensive and slow to react to pandemics. In this talk\, I will discuss how to accelerate drug discovery with deep learning\, and demonstrate their success in antibiotic discovery and COVID-19 drug combination design. In computational terms\, the major challenge of drug discovery is molecular graph generation and multi-objective optimization. While deep learning has been extensively investigated for graph encoding\, graph generation is a harder combinatorial task and remains under-explored. To address these challenges\, I will present novel deep generative models that leverage the low treewidth prior of molecular graphs and demonstrate their success in molecular optimization.
URL:https://seasevents.nmsdev7.com/event/cis-seminar-graph-representation-learning-for-drug-discovery/
LOCATION:Zoom – Email CIS for link\, cherylh@cis.upenn.edu
ORGANIZER;CN="Computer and Information Science":MAILTO:cherylh@cis.upenn.edu
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