Predicting inhibitors of OATP1B1 via heterogeneous OATP-ligand interaction graph neural network (HOLIgraph).

Mehrsa Mardikoraem

Mehrsa Mardikoraem Joelle N. Eaves Theodore Belecciu Nathaniel Pascual Alexander Aljets Bruno Hagenbuch Erik M. Shapiro Benjamin J. Orlando Daniel R. Woldring Predicting inhibitors of OATP1B1 via heterogeneous OATP-ligand interaction graph neural network (HOLIgraph). 69 2025 December 17 J. Cheminformatics 1 https://doi.org/10.1186/s13321-025-01020-5 db/journals/jcheminf/jcheminf17.html#MardikoraemEBPAHSOW25 streams/journals/jcheminf

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Reza Khanmohammadi Erfan Miahi Mehrsa Mardikoraem Simerjot Kaur Ivan Brugere Charese H. Smiley Kundan Thind Mohammad M. Ghassemi Calibrating LLM Confidence by Probing Perturbed Representation Stability. 2025 May abs/2505.21772 CoRR https://doi.org/10.48550/arXiv.2505.21772 db/journals/corr/corr2505.html#abs-2505-21772 streams/journals/corr

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Alexander Aljets Theodore Belecciu Ivan Brugere Joelle N. Eaves Mohammad M. Ghassemi Bruno Hagenbuch Simerjot Kaur Reza Khanmohammadi Erfan Miahi Benjamin J. Orlando Nathaniel Pascual Erik M. Shapiro Charese SmileyCharese H. Smiley Kundan Thind Zirui Wang Daniel R. Woldring