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

DOI retrieved: December 2, 2024

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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