Citation: Chenhang Chao, Ping Lu, Xin Hong. AI化学狂想曲[J]. University Chemistry, ;2022, 37(9): 220702. doi: 10.3866/PKU.DXHX202207027 shu

AI化学狂想曲

Department of Chemistry, Zhejiang University, Hangzhou 310027, China

Corresponding author: Xin Hong, hxchem@zju.edu.cn
Received Date: 5 July 2022

近年来机器学习在化学领域展现出巨大潜力，在化合物性质预测、反应预测、分子设计、逆合成分析、智能合成机器等领域均有重要应用。本文采用拟人的手法，从论文A的视角切入，通俗易懂地介绍了机器学习在化学领域中的应用背景、方法、前景以及面临的挑战。
- Machine learning,
- Molecular descriptors,
- Chemical reaction prediction,
- Chemical property prediction,
- Popularization of science
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