Representing a molecule in a way that captures both its structure and function is central to tasks such as molecular property prediction, drug drug interaction prediction, and drug target interaction ...
Agarwal, Chirag, Marinka Zitnik, and Himabindu Lakkaraju. "Probing GNN Explainers: A Rigorous Theoretical and Empirical Analysis of GNN Explanation Methods." Proceedings of the International ...
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