Estimation of pKa Using Quantum Topological Molecular Similarity Descriptors: Application to Carboxylic Acids, Anilines and Phenols

Journal of Organic Chemistry

Volumn 69, Issue 2, 2004, Pages 233-241

  Chaudry, U A ^a   Popelier, P L A ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; MULTIVARIABLE SYSTEMS; PHENOLS;

COMPUTER POWER;

CARBOXYLIC ACIDS;

ANILINE DERIVATIVE; CARBOXYLIC ACID; PHENOL DERIVATIVE;

ANALYTIC METHOD; ARTICLE; PKA; PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM CHEMISTRY; QUANTUM TOPOLOGICAL MOLECULAR SIMILARITY; THEORY;

EID: 0346502774     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo0347415     Document Type: Article

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