Science (New York, N.Y.)HumansDeep LearningDrug DiscoveryGenomeHuman
Deep contrastive learning enables genome-wide virtual screening.
Yinjun Jia, Bowen Gao, Jiaxin Tan, Jiqing Zheng, Xin Hong, Wenyu Zhu, Haichuan Tan, Yuan Xiao, Liping Tan, Hongyi Cai, Yanwen Huang, Zhiheng Deng, Xiangwei Wu, Yue Jin, Yafei Yuan
Published: 202610.1126/science.ads9530
Abstract
Recent breakthroughs in protein structure prediction have opened new avenues for genome-wide drug discovery, yet existing virtual screening methods remain computationally prohibitive. We present DrugCLIP, a contrastive learning framework that achieve…
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