Machine learning and molecular descriptors enable rational solvent selection in asymmetric catalysis

Rational solvent selection remains a significant challenge in process development. Here we describe a hybrid mechanistic - machine learning approach, geared towards automated process development workflow. A library of 459...YA is grateful to UCB Pharma for funding his PhD study. LC is grateful to BASF for part-funding her PhD study. This research was in part supported by the National Research Foundation, Prime Minister’s Office, Singapore under its CREATE programme