User-assisted methodology targeted for building structure interpretable QSPR models for boosting CO2 capture with ionic liquids
Joachim Eichenlaub, Paulina W. Rakowska, Adam Kloskowski
Topics & Concepts
Quantitative structure–activity relationshipIonic liquidInterpretabilityPartial least squares regressionMolecular descriptorBoosting (machine learning)Linear regressionComputer scienceChemistryBiological systemMachine learningBiochemical engineeringOrganic chemistryEngineeringBiologyCatalysisIonic liquids properties and applicationsComputational Drug Discovery MethodsChemistry and Chemical Engineering