Search

Categories

Biological and Medicinal Chemistry

(1)

Theoretical and Computational Chemistry

(1)

Content Types

Working Paper

(1)

Published Date

Last 3 years

(1)

Last 12 months

(1)

Last 6 months

(1)

Last 3 months

(1)

Keywords

uncertainty decomposition

Authors

1 results in Keywords: uncertainty decomposition

Theoretical and Computational Chemistry

aweSOM: a GNN-based Site-of-Metabolism Predictor with Aleatoric and Epistemic Uncertainty Estimation

Roxane Axel Jacob, Oliver Wieder, Ya Chen, Angelica Mazzolari, Andreas Bergner, Klaus-Juergen Schleifer, Johannes Kirchmair

Version 1 posted 08 October 2024

117

Downloads