Mapping the space of chemical reactions using attention-based neural networks
Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H Nair, David Kreutter, Teodoro Laino, Jean‐Louis Reymond
Topics & Concepts
Computer scienceChemical spaceCluster analysisArtificial neural networkChemical reactionArtificial intelligenceReagentClass (philosophy)Context (archaeology)ChemistryOrganic chemistryBiochemistryDrug discoveryBiologyPaleontologyAdvanced Text Analysis TechniquesMachine Learning in BioinformaticsMachine Learning in Materials Science