Artificial intelligence in synthetic chemistry: achievements and prospects

作者:Baskin Igor I*; Madzhidov Timur I; Antipin Igor S; Varnek Alexandre A
来源:Russian Chemical Reviews, 2017, 86(11): 1127-1156.
DOI:10.1070/RCR4746

摘要

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.

  • 出版日期2017