Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
aweSOM: a GNN-based Site-of-Metabolism Predictor with Aleatoric and Epistemic Uncertainty Estimation
, Authors:
Roxane Axel Jacob, Oliver Wieder, Ya Chen, Angelica Mazzolari, Andreas Bergner, Klaus-Juergen Schleifer, Johannes Kirchmair
Version 1 posted 08 October 2024
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