Quasi-SMILES as a basis for the development of QSPR models to predict the CO2 capture capacity of deep eutectic solvents using correlation intensity index and consensus modelling
Prof Parvin Kumar, Ashwani Kumar, Jayant Sindhu, Sohan Lal
Topics & Concepts
Quantitative structure–activity relationshipEutectic systemMolecular descriptorTest setChemistryApplicability domainLinear regressionCross-validationArtificial intelligenceComputer scienceMachine learningStereochemistryAlloyOrganic chemistryIonic liquids properties and applicationsPhase Equilibria and ThermodynamicsCarbon Dioxide Capture Technologies