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The research article presents DrugCLIP, a contrastive learning framework that enables ultrafast genome-wide virtual screening for drug discovery, achieving screening speeds up to 10 million times faster than traditional methods. It successfully identified small-molecule ligands for key psychiatric disease targets and generated a comprehensive database, GenomeScreenDB, covering ~20,000 protein pockets from ~10,000 human proteins. DrugCLIP

Author

jianwang.chem

Language

EN