An effective self-supervised framework for learning expressive molecular global representations to drug discovery.
Sign Up to like & getrecommendations! Published in 2021 at "Briefings in bioinformatics"
DOI: 10.1093/bib/bbab109
Abstract: How to produce expressive molecular representations is a fundamental challenge in artificial intelligence-driven drug discovery. Graph neural network (GNN) has emerged as a powerful technique for modeling molecular data. However, previous supervised approaches usually suffer… read more here.
Keywords: expressive molecular; self supervised; drug; drug discovery ... See more keywords