AMPred-MFG: Investigating the Mutagenicity of Compounds Using Motif-Based Graph Combined with Molecular Fingerprints and Graph Attention Mechanism
Jinpeng Hu, Xin Yang, Chenggui Yao, Mingxuan Zhang, Shihang Shen, Lijie Na, Qi Zhao
Topics & Concepts
GraphComputer scienceMotif (music)ChemistryComputational biologyBiologyTheoretical computer sciencePhysicsAcousticsComputational Drug Discovery MethodsMachine Learning in Materials ScienceChemistry and Chemical Engineering