AUG 17, 2026 · JOURNAL ARTICLE
Molecular Fragment-BasedGraph Isomorphism Networksfor Interpretable Prediction of Synergistic Drug Combinations
Journal of Chemical Information and Modeling
This is a computational method development study with in silico validation on existing datasets; it does not report clinical outcomes, prospective validation, or experimental confirmation of predicted synergies.
Reported
Area under receiver operating cha…0.944
Area under precision-recall curve…0.942
Accuracy (ACC)0.872