3D graph neural network with few-shot learning for predicting drug–drug interactions in scaffold-based cold start scenario
Qiujie Lv, Jun Zhou, Ziduo Yang, Haohuai He, Calvin Yu‐Chian Chen
Topics & Concepts
Computer scienceArtificial neural networkDrugArtificial intelligenceScaffoldMachine learningGraphDeep learningTheoretical computer scienceBiologyPharmacologyDatabaseComputational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics