Journal of Molecular Structure THEOCHEM · 2003 · 129 citations · 24 references
Natural SciencesChemical EngineeringChemistryComputational ChemistryOrganic ChemistryBoiling Heat TransferMolecular DescriptorsMolecular ModelingMolecular Property PredictionPartition CoefficientAromatic HydrocarbonsBoiling Point PredictionOctanol-water Partition CoefficientPolycyclic Aromatic Hydrocarbon AnalysisPolycyclic Aromatic Hydrocarbon ChemistryPolycyclic Aromatic HydrocarbonsRetention IndexRetention Time Analysis
24
Partial least-squares regression: a tutorial
Paul Geladi, Bruce R. Kowalski · Analytica Chimica Acta · 1986 · 6.9K citations
Characterization of molecular branching
Milan Randić · Journal of the American Chemical Society · 1975 · 3.6K citations