Docking-based generative approaches in the search for new drug candidates

Tomasz Danel,Jan Łęski,Sabina Podlewska,Igor T Podolak

Drug Discovery Today（2023）

引用 10|浏览12

暂无评分

摘要

•Compound enumeration coupled with docking is rapidly gaining popularity.•Docking-based generative models are reviewed.•New taxonomy for docking-based generative approaches is proposed.•Possible future directions of docking-based generative models are discussed.

查看译文

关键词

molecular docking,generative models,deep learning,evolutionary algorithms,computer-aided drug design,fragment-based drug design

AI 理解论文

溯源树

样例

生成溯源树，研究论文发展脉络

Chat Paper

正在生成论文摘要