Open access
Sep 2026
MMP2Mol: a matched molecular pairs-based framework for ligand-based de novo drug design
Findings indicate that MMP-derived chemical knowledge can improve the focus and reproducibility of ligand-based molecular generation under limited-data conditions and provides a practical strategy for computational candidate generation and prioritization in early-stage drug discovery.
De-Kun Chen, Hui Li, Jian-Wang Liu et al.
· Briefings in Bioinformatics · 0 citations