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CBInformax: bioactivity-aware self-supervised molecular representation learning for molecular property and drug-drug interaction prediction.

Yan-Peng Zhao Guowei Zhou Jingjing Wang Xiao-Chen Bo Naihan Shi Baoqing Wang Shuyue Men P. Zan Song He
Aug 2026 · Molecular diversity · 0 citations · 21 references
Medicine

TL;DR

It is suggested that incorporating bioactivity similarity during pretraining can enrich molecular representations and improve drug-drug interaction prediction and exhibit enhanced sensitivity in distinguishing structurally similar molecules with subtle chemical differences.

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