Deep learning for predictions of hydrolysis rates and conditional molecular design of esters
Po-Hao Chiu, Yan-Lin Yang, Heng‐Kwong Tsao, Yu‐Jane Sheng
Topics & Concepts
HydrolysisAutoencoderReaction rate constantSimilarity (geometry)Constant (computer programming)Value (mathematics)ChemistryWork (physics)Biological systemComputer scienceThermodynamicsOrganic chemistryPhysicsDeep learningKineticsArtificial intelligenceMachine learningImage (mathematics)Programming languageQuantum mechanicsBiologyMachine Learning in Materials ScienceComputational Drug Discovery MethodsProcess Optimization and Integration