Molecular fingerprint-based machine learning assisted QSAR model development for prediction of ionic liquid properties
Yi Ding, Minchun Chen, Chao Guo, Peng Zhang, Jingwen Wang
Topics & Concepts
Quantitative structure–activity relationshipIonic liquidMolecular descriptorCOSMO-RSBiological systemPredictive modellingFingerprint (computing)ViscosityChemistryComputer scienceArtificial intelligenceMachine learningThermodynamicsOrganic chemistryPhysicsBiologyCatalysisComputational Drug Discovery MethodsIonic liquids properties and applicationsMachine Learning in Materials Science