Geometric deep learning on molecular representations
Kenneth Atz, Francesca Grisoni, Gisbert Schneider
Topics & Concepts
Complementarity (molecular biology)Artificial intelligenceComputer scienceAbstractionDeep learningMolecular descriptorRelevance (law)NanotechnologyData scienceCognitive scienceMachine learningQuantitative structure–activity relationshipEpistemologyMaterials sciencePhilosophyPsychologyPolitical scienceLawBiologyGeneticsComputational Drug Discovery MethodsMachine Learning in Materials Science