Machine Learning and Big-Data in Computational Chemistry
Rafael Gómez‐Bombarelli, Alán Aspuru‐Guzik
Topics & Concepts
Computer scienceBig dataAutomationData scienceDigitizationSoftwareChemical spaceArtificial intelligenceNanotechnologyChemistryEngineeringData miningMaterials scienceMechanical engineeringDrug discoveryBiochemistryProgramming languageComputer visionMachine Learning in Materials ScienceComputational Drug Discovery MethodsVarious Chemistry Research Topics