6533b851fe1ef96bd12a9a8b
RESEARCH PRODUCT
QSAR Analysis of Hypoglycemic Agents Using the Topological Indices
R. Nalda-molinaMiguel Murcia-solerFacundo Pérez-giménezTeresa María GarriguesF. J. García-marchR. A. Cercós-del-pozoMa. Teresa Salabert‐salvadorsubject
Quantitative structure–activity relationshipbusiness.industryStatistical parameterRegression analysisPattern recognitionGeneral ChemistryMachine learningcomputer.software_genreLinear discriminant analysisStability (probability)Computer Science ApplicationsComputational Theory and MathematicsLinear regressionArtificial intelligencebusinesscomputerPredictive modellingSelection (genetic algorithm)Information SystemsMathematicsdescription
The molecular topology model and discriminant analysis have been applied to the prediction of some pharmacological properties of hypoglycemic drugs using multiple regression equations with their statistical parameters. Regression analysis showed that the molecular topology model predicts these properties. The corresponding stability (cross-validation) studies performed on the selected prediction models confirmed the goodness of the fits. The method used for hypoglycemic activity selection was a linear discriminant analysis (LDA). We make use of the pharmacological distribution diagrams (PDDs) as a visualizing technique for the identification and selection of new hypoglycemic agents, and we tested on rats the predictive ability of the model.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2001-07-17 |