Autocorrelation of Molecular Electrostatic Potential surface properties combined with partial least squares analysis as alternative attractive tool to generate ligand-based 3D-QSARs

Current Drug Discovery Technologies

Volumn 2, Issue 1, 2005, Pages 13-21

  Moro, Stefano ^a   Bacilieri, Magdalena ^a   Ferrari, Cristina ^a   Spalluto, Giampiero ^b  

^a UNIVERSITY OF PADOVA   (Italy)

^b UNIVERSITY OF TRIESTE   (Italy)

Author keywords

3D QSAR; Autocorrelation Vectors; Comparative Molecular Field Analysis (CoMFA); Molecular Electrostatic Potential (MEP); Partial Least Squares (PLS); A 3 Adenosine Receptor Antagonists

Indexed keywords

ADENOSINE RECEPTOR BLOCKING AGENT; PYRIMIDINE DERIVATIVE;

ARTICLE; BINDING AFFINITY; COMPARATIVE MOLECULAR FIELD ANALYSIS; CORRELATION ANALYSIS; DRUG DESIGN; DRUG SYNTHESIS; ELECTRIC POTENTIAL; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SURFACE PROPERTY; VALIDATION PROCESS;

DRUG DESIGN; ELECTROSTATICS; HUMANS; LEAST-SQUARES ANALYSIS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTOR, ADENOSINE A3;

EID: 16844364506     PISSN: 15701638     EISSN: None     Source Type: Journal    
DOI: 10.2174/1570163053175439     Document Type: Article

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