The prediction of molecular toxicity based on BiGRU and GraphSAGE
Jianping Liu, Xiujuan Lei, Yuchen Zhang, Yi Pan
Topics & Concepts
Computer scienceMolecular descriptorToxicityDrug discoveryDrugBaseline (sea)Feature (linguistics)Machine learningArtificial intelligenceComputational biologyQuantitative structure–activity relationshipBiochemical engineeringChemistryPharmacologyBioinformaticsBiologyOrganic chemistryEngineeringPhilosophyLinguisticsFisheryComputational Drug Discovery MethodsMachine Learning in Materials ScienceCholinesterase and Neurodegenerative Diseases