Machine Learning for Chemistry: Basics and Applications

The past decade has seen a sharp increase in machine learning (ML) applications in scientific research. This review introduces the basic constituents of ML, including databases, features, and algorithms, and highlights a few important achievements in chemistry that have been aided by ML techniques....

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Bibliographic Details
Main Authors: Yun-Fei Shi, Zheng-Xin Yang, Sicong Ma, Pei-Lin Kang, Cheng Shang, P. Hu, Zhi-Pan Liu
Format: Article
Language:English
Published: Elsevier 2023-08-01
Series:Engineering
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2095809923002813