Tautomerism, Hammett σ, and QSAR

Journal of Computer-Aided Molecular Design

Volumn 24, Issue 6-7, 2010, Pages 613-616

  Martin, Yvonne Connolly ^a  

^a Martin Consulting   (United States)

Author keywords

2D QSAR; 3D QSAR; Hammett equation; Hammett ; Model based equations; PKa; Tautomer

Indexed keywords

2D QSAR; 3D-QSAR; EQUILIBRIUM MODELLING; HAMMETT EQUATIONS; HAMMETT Σ; MODEL-BASED EQUATION; MODEL-BASED OPC; PKA; TAUTOMER; TAUTOMERIC EQUILIBRIA;

COMPUTATIONAL CHEMISTRY;

BINDING AFFINITY; COMPARTMENT MODEL; CORRELATION ANALYSIS; EQUILIBRIUM CONSTANT; HAMMETT SIGMA; HYDROPHOBICITY; MATHEMATICAL MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SHORT SURVEY; TAUTOMERIC SHIFT; CHEMICAL MODEL; ISOMERISM;

ISOMERISM; MODELS, CHEMICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 77955667260     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-010-9325-9     Document Type: Short Survey

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