Machine Learning‐Aided Small‐Molecule Virtual Screening: Recent Advances and Future Perspectives
A comprehensive review of how Artificial Intelligence and Machine Learning are redefining this landscape across three critical dimensions outlines the transition toward end‐to‐end, adaptive discovery systems that ensure computational hits are biologically potent, structurally optimized, and synthetically accessible.
Yi-Fei Wang, Nupur Bansal, Shiyun Wa et al.
· WIREs Computational Molecula... · 0 citations