Predicting Organ-Specific Toxicity of Selective Androgen Receptor Modulators, using Transfer Learning on Graph Convolutional Networks
Alexander D. Kalian, Arthur C. Silva, Jaewook Lee, J.L.C.M. Dorne, Claire Potter, Emilio Benfenati, Olivia J. Osborne, Miao Guo, Christer Högstrand
This paper develops GCN-based QSAR models to predict toxicity of SARMs, finding mixed success with transfer learning and moderate accuracy in predicting DILI, DIRI, and DICT.
bioRxiv · Aug 27, 2025 · PreprintPharmacology & Toxicology