A multiway 3D QSAR analysis of a series of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methoxybenzamides

Journal of Computer-Aided Molecular Design

Volumn 12, Issue 1, 1998, Pages 81-93

  Nilsson, Jonas ^a   Homan, Evert J ^b   Smilde, Age K ^c   Grol, Cor J ^b   Wikström, Håkan ^b  

^a Pharmacia & Upjohn AB   (Sweden)

^b UNIVERSITY OF GRONINGEN   (Netherlands)

^c UNIVERSITY OF AMSTERDAM   (Netherlands)

Author keywords

3D QSAR; Alignment; Molecular modeling; Multilinear PLS; Multiway calibration; PARAFAC

Indexed keywords

COMPUTATIONAL CHEMISTRY; CONFORMATIONS; LIGANDS; PRINCIPAL COMPONENT ANALYSIS; REGRESSION ANALYSIS; SOFTWARE TESTING;

3D-QSAR; CALIBRATION COMPOUNDS; CONFORMATIONAL ANALYSIS; DESCRIPTORS; DOPAMINE; MULTILINEAR PLS; MULTIWAY CALIBRATION; PARAFAC; QSAR ANALYSIS; REGRESSION METHOD;

CALIBRATION;

BENZAMIDE DERIVATIVE; DOPAMINE 2 RECEPTOR; DOPAMINE RECEPTOR BLOCKING AGENT; LIGAND;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; DRUG ANTAGONISM; METABOLISM; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

ALGORITHMS; BENZAMIDES; COMPUTER SIMULATION; DOPAMINE ANTAGONISTS; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; RECEPTORS, DOPAMINE D2; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 0031637867     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1007977010551     Document Type: Article

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