Applying novel molecular electronegativity-interaction vector (MEIV) to QSPR study on collision cross section of singly protonated peptides

QSAR and Combinatorial Science

Volumn 26, Issue 1, 2007, Pages 117-121

  Zhou, Peng ^a,b   Zeng, Hui ^a   Tian, Fei Fei ^a   Li, Bo ^a   Li, Zhi Ang ^a,b  

^a CHONGQING UNIVERSITY   (China)

^b State Key Laboratory of Chemo/Biosensing and Chemometrics   (China)

Author keywords

Collision cross section; Computational neural network; Molecular electronegativity interaction vector; Multiple linear regression; Partial least square regression; Quantitative structure property relationship

Indexed keywords

CHEMICAL BONDS; ELECTRONEGATIVITY; LEAST SQUARES APPROXIMATIONS; PEPTIDES; PROTONATION;

COLLISION CROSS SECTIONS; COMPUTATIONAL NEURAL NETWORKS; DESCRIPTORS; MODEL METHOD; MOLECULAR ELECTRONEGATIVITY-INTERACTION VECTOR; MULTIPLE LINEAR REGRESSIONS; PARTIAL LEAST SQUARE REGRESSION; PARTIAL LEAST-SQUARES; PROTONATED PEPTIDES; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS;

MULTIPLE LINEAR REGRESSION;

PEPTIDE DERIVATIVE;

ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL STRUCTURE; COMPUTER MODEL; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; MULTIPLE LINEAR REGRESSION ANALYSIS; PARTIAL LEAST SQUARES REGRESSION; PRIORITY JOURNAL; PROTEIN STRUCTURE; PROTON TRANSPORT; QUANTITATIVE STRUCTURE PROPERTY RELATION;

EID: 33846781598     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200510220     Document Type: Article

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