Multivariate analysis of experimental and computational descriptors of molecular lipophilicity

Journal of Computer-Aided Molecular Design

Volumn 12, Issue 6, 1998, Pages 573-581

  Mannhold, Raimund ^a   Cruciani, Gabriele ^b   Dross, Karl ^a   Rekker, Roelof ^c  

^a HEINRICH HEINE UNIVERSITY   (Germany)

^b UNIVERSITY OF PERUGIA   (Italy)

^c VU UNIVERSITY MEDICAL CENTER   (Netherlands)

Author keywords

Calculation procedures; Diversity searching in databases; Linear regression; Octanol water partitioning (log Poct); Principal component analysis; Reversed phase thin layer chromatography (RMw)

Indexed keywords

ALCOHOLS; ATOMS; MULTIVARIANT ANALYSIS; PRINCIPAL COMPONENT ANALYSIS; REGRESSION ANALYSIS; THIN LAYER CHROMATOGRAPHY;

CALCULATION PROCEDURE; DESCRIPTORS; DIVERSITY SEARCHING IN DATABASE; LIPOPHILICITY; MOLECULAR PROPERTIES; OCTANOL-WATER PARTITIONING; OCTANOL/WATER PARTITIONING (LOG POCT); PRINCIPAL-COMPONENT ANALYSIS; REVERSED-PHASE THIN-LAYER CHROMATOGRAPHY; REVERSED-PHASE THIN-LAYER CHROMATOGRAPHY (RMW);

DATABASE SYSTEMS;

LIPID;

ARTICLE; CHEMISTRY; REGRESSION ANALYSIS; THIN LAYER CHROMATOGRAPHY;

CHROMATOGRAPHY, THIN LAYER; LIPIDS; REGRESSION ANALYSIS;

EID: 0032197149     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008060415622     Document Type: Article

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