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DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening

Virtual screening, which identifies potential drugs from vast compound databases to bind with a particular protein pocket, is a critical step in AI-assisted drug discovery. Traditional docking methods are highly time-consuming, and can only work with a restricted search library in real-life applications.

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Cite this as

Bowen Gao, Bo Qiang, Haichuan Tan, Minsi Ren, Yinjun Jia, Minsi Lu, Jingjing Liu, Weiying Ma, Yanyan Lan (2024). Dataset: DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening. https://doi.org/10.57702/fhf46llc

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Additional Info

Field	Value
Created	December 2, 2024
Last update	December 2, 2024
Defined In	https://doi.org/10.48550/arXiv.2310.06367
Author	Bowen Gao
More Authors	Bo Qiang Haichuan Tan Minsi Ren Yinjun Jia Minsi Lu Jingjing Liu Weiying Ma Yanyan Lan
Homepage	https://www.biorxiv.org/content/early/2022/03/17/484710