Artificial intelligence-based drug development: current progress and future challenges
10.11665/j.issn.1000-5048.2023041003
- VernacularTitle:基于人工智能的药物研发：目前的进展和未来的挑战
- Author:
Zehao YU
1
;
Leiming ZHANG
;
Mengna ZHANG
;
Zhiqi DAI
;
Chengbin PENG
;
Siming ZHENG
Author Information
1. 宁波大学医学部
- Publication Type:Journal Article
- Keywords:
artificial intelligence;
expert system;
machine learning;
natural language processing;
graph neural network;
drug design;
drug development
- From:
Journal of China Pharmaceutical University
2023;54(3):282-293
- CountryChina
- Language:Chinese
-
Abstract:
In recent years, artificial intelligence (AI) has been widely applied in the field of drug discovery and development.In particular, natural language processing technology has been significantly improved after the emergence of the pre-training model.On this basis, the introduction of graph neural network has also made drug development more accurate and efficient.In order to help drug developers more systematically and comprehensively understand the application of artificial intelligence in drug discovery, this article introduces cutting-edge algorithms in AI, and elaborates on the various applications of AI in drug development, including drug small molecule design, virtual screening, drug repurposing, and drug property prediction, finally discusses the opportunities and challenges of AI in future drug development.
