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JOURNALS // Uspekhi Khimii // Archive

Usp. Khim., 2017 Volume 86, Issue 11, Pages 1127–1156 (Mi rcr4189)

This article is cited in 46 papers

Artificial intelligence in synthetic chemistry: achievements and prospects

I. I. Baskinab, T. I. Madzhidovb, I. S. Antipinb, A. A. Varnekbc

a Lomonosov Moscow State University, Faculty of Physics
b Kazan State University A. Butlerov, Institute of Chemistry
c Laboratory of Chemoinformatics (UMR 7140 CNRS/UniStra), University of Strasbourg, France

Abstract: The review is devoted to the achievements in analysis of information on chemical reactions using machine learning methods. Four large areas that actively use these methods are outlined: computer-assisted planning of synthesis, analysis and visualization of chemical reaction data, prediction of the quantitative characteristics of reactions and computer-aided design of catalysts.
The bibliography includes 346 references.

Received: 14.04.2017

DOI: 10.1070/RCR4746


 English version:
Russian Chemical Reviews, 2017, 86:11, 1127–1156

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