arXiv:2606. 07698v1 Announce Type: cross Abstract: Graph neural networks (GNNs) applied to drug-drug interaction (DDI) prediction rely exclusively on molecular structure encoded as SMILES-derived graphs.
By Juergen Dietrich
arXiv:2606. 17113v1 Announce Type: new Abstract: Distinguishing causal adverse drug events (ADEs) from spurious correlations remains a central challenge in pharmacovigilance.
By Csaba Kiss, Roland Molontay, Gabriele Pergola
arXiv:2602. 02124v2 Announce Type: replace-cross Abstract: Drug-induced toxicity is a leading cause of preclinical and early-clinical failure, making early detection critical.
By Olga Graf, Dhrupal Patel, Peter Gro{\ss}, Charlotte Lempp, Matthias Hein, Fabian Heinemann
arXiv:2408. 13378v5 Announce Type: replace Abstract: Workflows in drug-target interaction (DTI) assessment require integrating heterogeneous data from predictive models, curated resources, and observations from experimental literature.
By Yoshitaka Inoue, Tianci Song, Xinling Wang, Rui Kuang, Tianfan Fu, Augustin Luna
arXiv:2608. 06486v1 Announce Type: new Abstract: In a feature-tokenized transformer (arXiv:2106.
By Oren Nelson
arXiv:2606. 08973v1 Announce Type: cross Abstract: Fundamental investigations into how different molecular encoding methods affect molecular property prediction remain relatively limited.
By Sheng-Ya Chen, Shan-Ju Yeh