Graph theoretical similarity approach to compare molecular electrostatic potentials

Journal of Chemical Information and Modeling

Volumn 48, Issue 1, 2008, Pages 109-118

  Marín, Ray M ^a   Aguirre, Nestor F ^a   Daza, Edgar E ^a  

^a UNIVERSIDAD NACIONAL DE COLOMBIA   (Colombia)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER ANALYSIS; ELECTROSTATICS; MOLECULAR INTERACTIONS; SET THEORY;

MOLECULAR ELECTROSTATIC POTENTIALS; TOPOLOGICAL INFORMATION;

GRAPH THEORY;

ORGANIC COMPOUND; STEROID; TRANSCORTIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CLASSIFICATION; CLUSTER ANALYSIS; ELECTRICITY; METABOLISM; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; REPRODUCIBILITY; SURFACE PROPERTY;

CLUSTER ANALYSIS; ELECTROSTATICS; LEAST-SQUARES ANALYSIS; MODELS, MOLECULAR; ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; STEROIDS; SURFACE PROPERTIES; TRANSCORTIN;

EID: 39449089822     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci7001878     Document Type: Article

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