Review
Open access
Aug 2026
Geometric Deep Learning‐Based Drug Design Models for Small‐Molecule Drug Discovery
Deep neural network (DNN)‐based in silico models show great promise in predicting the properties and bioactivities of novel compounds, including small molecules. Among traditional approaches, structure‐based drug design (SBDD) remains a fundamental approach for drug discovery using molecular docking, scoring functions,...
A. Srivastav, Unnati Modi, Rahul Kumar et al.
· Molecular Informatics · 1 citation