Predicting inhibitors of OATP1B1 via heterogeneous OATP-ligand interaction graph neural network (HOLIgraph). - Mehrsa Mardikoraem; Joelle N. Eaves; Theodore Belecciu; Nathaniel Pascual; Alexander Aljets; Bruno Hagenbuch; Erik M. Shapiro; Benjamin J. Orlando; Daniel R. Woldring (J. Cheminformatics, 2025)