Research progress of the screening and generation of lead compounds based on artificial intelligence model
10.11665/j.issn.1000-5048.2023042201
- VernacularTitle:基于人工智能模型筛选与生成先导化合物的研究进展
- Author:
Zhihao GU
1
;
Wenhao GUO
;
Hequan YAO
;
Xuanyi LI
;
Kejiang LIN
Author Information
1. 中国药科大学药学院药物化学系
- Publication Type:Journal Article
- Keywords:
artificial intelligence;
lead compound;
screening;
generation
- From:
Journal of China Pharmaceutical University
2023;54(3):294-304
- CountryChina
- Language:Chinese
-
Abstract:
Excellent lead compounds have a profound influence on drug development and can improve the success rate of product launch. It is expensive and time-consuming to discover lead compounds by traditional methods, yet artificial intelligence (AI) can discover good lead compounds efficiently.This article systematically summarizes the research progress of obtaining lead compounds through the screening and generation models of AI, classifies different models according to the type of information input, focuses on drug repurposing by screening model and multi-objective drug design by generation model, and discusses the development prospect of AI in the research field of lead compounds, aiming to provide new research ideas for the application of AI in lead compounds.
