Journal of Medicinal Chemistry · 1976 · 55 citations · 0 references
PharmacyMedicinal ChemistryPharmacologyDrug DiscoveryPharmacophore ModelingStructure-activity RelationshipsMolecular DescriptorsPharmacophore Feature IdentificationPharmacophore MappingPharmacophore ScreeningStructure-activity Relationship AnalysisActivity-based Pharmacophore GenerationChemical Structure-activity RelationshipsChemical Structure-based ClassificationChemometric Drug ClassificationPharmacophore Cluster AnalysisPharmacophore Feature ExtractionPharmacophore Similarity AssessmentStructure-activity Relationship Modeling
One of the preprocessing methods used in pattern recognition-factor analysis-is shown to be well suited to the derivation of structure-activity relationships. Applications of the procedure developed are illustrated using sets of compounds which are of accepted therapeutic utility.