Uncertainty Quantification using Neural Networks for Molecular Property Prediction
Hirschfeld, Lior, Swanson, Kyle, Yang, Kevin, Barzilay, Regina, Coley, Connor W.Журнал:
Journal of Chemical Information and Modeling
DOI:
10.1021/acs.jcim.0c00502
Date:
July, 2020
Файл:
PDF, 1.28 MB
2020