Artificial intelligence in synthetic chemistry: achievements and prospects. (December 2017)

• Record Type: Journal Article
• Authors: Baskin, Igor I.; Madzhidov, Timur I.; Antipin, Igor S.; Varnek, Alexandre A.
• Is Part Of: Russian chemical reviews. Volume 86:Number 11(2017)
• Page Start: 1127
• Page End: 1156
• Publication Date: 2017-12
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1070/RCR4746
• Languages: English
• ISSNs: 0036-021X

Abstract

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.