BioinformaticsbioRxivPreprint
Integrating Multi-Structure Covalent Docking with Machine Learning Consensus Scoring Enhances Virtual Screening of Human Acetylcholinesterase Inhibitors
Chaitanya Kumar Jaladanki, Achal Ajeet Rayakar, Yap Xiu Huan, Hao Fan
This study improves virtual screening of AChE inhibitors by combining multi-structure covalent docking with a machine learning consensus model, achieving higher predictive accuracy than single-structure approaches.
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