Search

Categories

Biological and Medicinal Chemistry

(2)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Last 3 years

(3)

Last 12 months

(2)

Last 6 months

(2)

Last 3 months

(1)

Keywords

Authors

Angelica Chen

3 results in Authors: Angelica Chen

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 3 posted 08 April 2025

440

Downloads

Theoretical and Computational Chemistry

Inconsistency of LLMs in Molecular Representations

Bing Yan, Angelica Chen, Kyunghyun Cho

Version 1 posted 16 December 2024

543

Downloads

Biological and Medicinal Chemistry

FAME.AL: Site-of-metabolism prediction with active learning

Ya Chen, Thomas Seidel, Roxane Axel Jacob, Steffen Hirte, Angelica Mazzolari, Alessandro Pedretti, Giulio Vistoli, Thierry Langer, Filip Miljković, Johannes Kirchmair

Version 1 posted 03 October 2023

391

Downloads