Predicting Reaction Yields via Supervised Learning.
Sign Up to like & getrecommendations! Published in 2021 at "Accounts of chemical research"
DOI: 10.1021/acs.accounts.0c00770
Abstract: ConspectusNumerous disciplines, such as image recognition and language translation, have been revolutionized by using machine learning (ML) to leverage big data. In organic synthesis, providing accurate chemical reactivity predictions with supervised ML could assist chemists… read more here.
Keywords: data sets; predicting reaction; model; reaction ... See more keywords
Predicting reaction conditions from limited data through active transfer learning
Sign Up to like & getrecommendations! Published in 2022 at "Chemical Science"
DOI: 10.1039/d1sc06932b
Abstract: Transfer and active learning have the potential to accelerate the development of new chemical reactions, using prior data and new experiments to inform models that adapt to the target area of interest. This article shows… read more here.
Keywords: active transfer; transfer; transfer learning; model ... See more keywords