Application of multivariate data analysis methods to Comparative Molecular Field Analysis (CoMFA) data: Proton affinities and pKa prediction for nucleic acids components

Journal of Computer-Aided Molecular Design

Volumn 13, Issue 6, 1999, Pages 611-623

  Gargallo, Raimundo ^a,b   Sotriffer, Christoph A ^a   Liedl, Klaus R ^a   Rode, Bernd M ^a  

^a UNIVERSITY OF INNSBRUCK   (Austria)

^b UNIVERSITY OF BARCELONA   (Spain)

Author keywords

CoMFA; Multivariate analysis; Proton affinity; Protonation constant

Indexed keywords

DATA HANDLING; FORECASTING; INFORMATION ANALYSIS; LEAST SQUARES APPROXIMATIONS; MULTIVARIANT ANALYSIS; OLIGONUCLEOTIDES; PRINCIPAL COMPONENT ANALYSIS;

COMPARATIVE MOLECULAR FIELD ANALYSIS; CYCLIC NUCLEOTIDE; DATA SET; MULTI VARIATE ANALYSIS; MULTIVARIATE DATA ANALYSIS METHOD; PARTIAL LEAST-SQUARES; PKA VALUES; PRINCIPAL-COMPONENT ANALYSIS; PROTON AFFINITY; PROTONATION CONSTANTS;

NUCLEIC ACIDS;

CYCLIC NUCLEOTIDE; NUCLEIC ACID BASE; NUCLEOSIDE; NUCLEOTIDE; OLIGONUCLEOTIDE; PROTON;

ARTICLE; CONFORMATION; CONSTANTS AND COEFFICIENTS; DATA ANALYSIS; MOLECULAR MODEL; MULTIVARIATE ANALYSIS; PRIORITY JOURNAL; PROTON TRANSPORT;

EID: 0032723279     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008005522776     Document Type: Article

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