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Journal Article
Current Topics in Medicinal Chemistry, ISSN 1568-0266, 01/2010, Volume 10, Issue 1, pp. 95 - 115
Quantitative structure-activity relationships ( QSAR) have been applied for decades in the development of relationships between physicochemical properties of... 
BENZENE-DERIVATIVES | 3D QSAR | CHEMISTRY, MEDICINAL | ACTIVE-SITE LATTICE | ANALYSIS COMSA | SHAPE-ANALYSIS | BIOLOGICAL-ACTIVITY | SCORING FUNCTIONS | INTERACTION ANALYSIS CORIA | FIELD ANALYSIS | MOLECULAR-SURFACE ANALYSIS
Journal Article
Medicinal Chemistry Research, ISSN 1054-2523, 1/2017, Volume 26, Issue 1, pp. 247 - 261
In this work, we study the structure–activity relationship of a series of Dihydrofolate reductase inhibitors by two-dimensional quantitative activity–structure... 
Biochemistry, general | DHFR inhibitors synthesis | Biomedicine | QSAR | 3D-QSAR | Dihydrofolate reductase | Pharmacology/Toxicology | Cell Biology | Topological descriptors | REGRESSION | DESIGN | CHEMISTRY, MEDICINAL | LINEAR DISCRIMINANT-ANALYSIS | MODEL | ENHANCED REPLACEMENT METHOD | BIOLOGICAL-ACTIVITY | THERAPEUTIC TARGET | BACILLUS-ANTHRACIS | SELECTION | Analysis | Methods | Resveratrol
Journal Article
Journal of the Brazilian Chemical Society, ISSN 0103-5053, 2002, Volume 13, Issue 6, pp. 742 - 753
In this work, the chemometric techniques most frequently used in QSAR (quantitative structure-activity relationships) studies are reviewed. They are introduced... 
KNN | Partial least squares | SIMCA | Chemometrics | Principal component analysis | 3D-QSAR | COMFA | CHEMISTRY, MULTIDISCIPLINARY | chemometrics | MULTIWAY CALIBRATION | 3D QSAR | MOLECULAR-FIELD ANALYSIS | GOLPE | TUTORIAL | PLS | partial least squares | BINDING | principal component analysis
Journal Article
Journal Article