Optimization of Molecules via Deep Reinforcement Learning
Author:
Funder
National Science Foundation
Publisher
Springer Science and Business Media LLC
Subject
Multidisciplinary
Link
http://www.nature.com/articles/s41598-019-47148-x.pdf
Reference36 articles.
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4. Segler, M. H., Kogej, T., Tyrchan, C. & Waller, M. P. Generating focused molecule libraries for drug discovery with recurrent neural networks. ACS Cent. Sci. 4, 120–131 (2017).
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