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Empowering chemical structures with biological insights for scalable phenotypic virtual screening.

Bioinformatics (Oxford, England) - 3 Aug 2026

Lian Xiaoqing, Ma Pengsen, Ma Tengfeng, Ren Zhonghao, Cai Xibao, Cheng Zhixiang, Song Bosheng, Wang He, Pan Xiang, Chen Yangyang, Yuan Sisi, Lin Chen

Abstract excerpt

MOTIVATION: The scalable identification of bioactive compounds is essential for contemporary drug discovery. This process faces a key trade-off: structural screening offers scalability but lacks biological context, whereas high-content phenotypic profiling provides deep biological insights but is resource-intensive. The primary challenge is to extract robust biological signals from noisy data and encode them into...

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PMID: 42500991
DOI: 10.1093/bioinformatics/btag517
PMCID: PMC13447017

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