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Predicting the cradle-to-gate environmental impact of chemicals from molecular descriptors and thermodynamic properties via mixed-integer programming

Chemical EngineeringEngineeringChemical AnalysisMixed-integer ProgrammingMolecular PropertyCradle-to-gate Environmental ImpactMolecular ComputingComputational ChemistryMolecular SimulationChemistryMolecular DescriptorsMathematical ChemistryChemical KineticsBiophysicsMolecular Design