Article

Deep contrastive learning enables genome-wide virtual screening

2024-09-03

Abstract excerpt

Numerous protein-coding genes are associated with human diseases, yet approximately 90% of them lack targeted therapeutic intervention. While conventional computational methods, such as molecular docking, have facilitated the discovery of potential hit compounds, the development of genome-wide virtual screening against the expansive chemical space remains a formidable challenge. Here we introduce DrugCLIP, a novel...

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Literature Corpus work: 715e312e-daab-587f-a4bc-e17517040af2
DOI: 10.1101/2024.09.02.610777

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