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Sponsored AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI

Author

Yi-Fan Wu

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Sep 2026

MultiRankDTA: A Hybrid Ranking Framework for Robust and Generalizable Drug-Target Affinity Prediction

Predicting drug-target affinity (DTA) is essential for screening candidate compounds in early-stage drug discovery. However, most existing computational methods formulate DTA prediction as a regression task, leading to an objective mismatch with the practical need to rank and prioritize candidate compounds based on t...

Qian Huang, Yi-Fan Wu, Lin Wang et al. · 0 citations
Open access Sep 2026

AIDrugDesigner: a web server for drug-like molecules generation and optimization

Abstract Motivation Designing molecules with predefined properties remains a critical yet challenging task in drug discovery. Recent advances in deep learning have demonstrated strong potential in accelerating the identification of novel compounds with desired properties and activities. However, the implementation and...

Hui Zhu, Ren-Yi Zhou, Shi-Liang Zhang et al. · 0 citations

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