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Deep learning for complex chemical systems.

Authors :
Li, Wei
Wang, Guoqiang
Ma, Jing
Source :
National Science Review. Dec2023, Vol. 10 Issue 12, p1-3. 3p.
Publication Year :
2023

Abstract

This article discusses the use of deep learning (DL) in complex chemical systems. DL models, such as convolutional neural networks and recurrent neural networks, are increasingly popular in the chemistry community because they automatically learn underlying representations. These models utilize nonlinear activation functions to capture the relationship between input descriptors and outputs. DL is used to predict properties, model reactions, and optimize synthetic processes. It can also be combined with simulations and machine learning to create intelligent laboratories for rapid discovery of reactions and functional materials. The article emphasizes the need for a user-friendly platform and the sharing of code and datasets to further advance DL in chemistry. [Extracted from the article]

Details

Language :
English
ISSN :
20955138
Volume :
10
Issue :
12
Database :
Academic Search Index
Journal :
National Science Review
Publication Type :
Academic Journal
Accession number :
175672696
Full Text :
https://doi.org/10.1093/nsr/nwad335