Treating chemical diversity in QSAR analysis: Modeling diverse HIV-I integrase inhibitors using 4D fingerprints

Journal of Chemical Information and Modeling

Volumn 47, Issue 5, 2007, Pages 1945-1960

  Iyer, Manisha ^a,b   Hopfinger, A J ^c,d  

^a UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

^b CHILDREN S HOSPITAL OF PITTSBURGH   (United States)

^c Chem21 Group Inc ^*  (United States)

^d UNIVERSITY OF NEW MEXICO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CHEMICAL COMPOUNDS; CLUSTERING ALGORITHMS; MATHEMATICAL MODELS; OPTIMIZATION; ROBUST CONTROL;

HIERARCHICAL CLUSTERING; MEDOIDS; PHARMACOPHORES;

ENZYME INHIBITION;

COUMARIN DERIVATIVE; DEPSIDE; INTEGRASE; INTEGRASE INHIBITOR;

ALGORITHM; ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMISTRY; CLUSTER ANALYSIS; PEPTIDE MAPPING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REPRODUCIBILITY; THERMODYNAMICS;

ALGORITHMS; BINDING SITES; CLUSTER ANALYSIS; COUMARINS; DEPSIDES; HIV INTEGRASE; HIV INTEGRASE INHIBITORS; MODELS, CHEMICAL; PEPTIDE MAPPING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; THERMODYNAMICS;

EID: 35248884819     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci700153g     Document Type: Article

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