Speakers:
Tong Wang, Researcher, Microsoft Research Asia
Yingce Xia, senior researcher, Microsoft Research Asia

Drug discovery is an important task with major social and business implications. It typically takes decades and billions of dollars to discover a new drug. A promising and exciting direction in research is the use of artificial intelligence (AI) to accelerate drug discovery. In this talk, we present two AI technologies designed for drug discovery: compound pretraining and AI-powered molecular docking. Inspired by the success of pretraining in natural language processing (NLP) and computer vision, we propose a novel molecule pretraining technique that includes pretraining of dual-view molecules. Drug-target interaction prediction that identifies actively binding drugs to target proteins plays an essential role in drug discovery. It is also the main challenge for virtual screening. In this talk we present the Intermolecular Graph Transformer (IGT), which pays special attention to intermolecular information with a special three-way transformer-based architecture.

Learn more about the Microsoft Research Summit 2021: https://Aka.ms/researchsummit

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