Author

Yan-Peng Zhao

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Aug 2026

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

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.

Yan-Peng Zhao, Guowei Zhou, Jingjing Wang et al. · Molecular diversity · 0 citations

Conference Jul 2026

A Drug-Target Affinity Prediction Model Based on Bayesian Meta-Learning and Uncertainty Fusion

In the early stages of drug discovery, predicting drug-target affinity is a crucial task. Due to the vast scale of genomic and chemical spaces, traditional biological methods are time-consuming, labor-intensive, and resource-demanding. As a result, machine learning-based computational methods have emerged to narrow dow...

Naihan Shi, Yanpeng Zhao, Wanying Li et al. · 2026 IEEE 27th China Confere... · 0 citations