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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Yongchan Hong

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Open access Sep 2026

When DL-Based Prescreening Meets Synthon-Based Docking: Target-Adapting PharmacoNet via MEL-Steered Correction

As chemical libraries expand into the trillions of molecules, Virtual SYNthon Hierarchical Enumeration Screening (V-SYNTHES) has emerged as a leading strategy for making gigascale virtual screening computationally tractable. In V-SYNTHES, a Minimal Enumeration Library (MEL) of chemical fragments is docked against a tar...

Wen-Jin Liu, Yong-Chan Hong, Thomas Ku et al. · 0 citations
Book Jul 2026

Trustworthy Protein-Ligand Binding Affinity Prediction via Reliability-Aware Multi-Engine Fusion

To the knowledge, RELIABLE-BA is the first multi-engine binding affinity prediction framework to combine evidential fusion with context-dependent reliability, offering a principled path toward trustworthy AI-guided drug discovery.

Yongchan Hong, Defu Cao, Wenjin Liu et al. · 0 citations

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