Deep generative models for 3D structure-based drug design and molecular optimisation: a comprehensive survey

作者：Y Zhang, Yuyouqiang Fu, Guishen Wang · 发表于：Journal of Computer-Aided Molecular Design · 年份：2026 · DOI：10.1007/s10822-026-00887-2 · 研究领域：Computational Drug Discovery Methods、Protein Structure and Dynamics、Machine Learning in Materials Science