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Deep Learning in Chemistry

Mater, Adam; Coote, Michelle


Machine learning enables computers to address problems by learning from data. Deep learning is a type of machine learning that uses a hierarchical recombination of features to extract pertinent information and then learn the patterns represented in the data. Over the last eight years, its abilities have increasingly been applied to a wide variety of chemical challenges, from improving computational chemistry to drug and materials design and even synthesis planning. This review aims to explain...[Show more]

CollectionsANU Research Publications
Date published: 2019-06-13
Type: Journal article
Source: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b00266
Access Rights: Open Access


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