Expert System for Predicting Reaction Conditions: The Michael Reaction Case
Expert System for Predicting Reaction Conditions: The Michael Reaction Case
G. Marcou,J. Aires-de-Sousa,4 Authors,A. Varnek
2015 · DOI: 10.1021/ci500698a
Journal of Chemical Information and Modeling · 73 Citations
TLDR
A number of 2-classes classification models have been built on a set of 198 Michael reactions retrieved from literature, aiming to predict feasibility conditions for ∼50 novel Michael reactions from the eNovalys database.