Using Active Learning to Develop Machine Learning Models for Reaction Yield Prediction
Journal article, 2022
Reaction Yield Prediction
Bayesian Matrix Factorization
Random Forest
Active Learning
Neural Networks
Author
Simon Johansson
Chalmers, Computer Science and Engineering (Chalmers), Data Science and AI
AstraZeneca AB
Hampus Gummesson Svensson
AstraZeneca AB
Chalmers, Computer Science and Engineering (Chalmers), Data Science and AI
Esben Jannik Bjerrum
AstraZeneca AB
Alexander Schliep
University of Gothenburg
Morteza Haghir Chehreghani
Chalmers, Computer Science and Engineering (Chalmers), Data Science and AI
Christian Tyrchan
AstraZeneca AB
Ola Engkvist
Chalmers, Computer Science and Engineering (Chalmers)
AstraZeneca AB
Molecular Informatics
1868-1743 (ISSN) 1868-1751 (eISSN)
Vol. 41 12 2200043Subject Categories
Language Technology (Computational Linguistics)
Bioinformatics (Computational Biology)
Bioinformatics and Systems Biology
DOI
10.1002/minf.202200043
PubMed
35732584