Proteochemometric modeling of the inhibition complexes of matrix metalloproteinases with N-hydroxy-2-[(phenylsulfonyl)amino]acetamide derivatives using topological autocorrelation interaction matrix and model ensemble averaging

Chemical Biology and Drug Design

Volumn 72, Issue 1, 2008, Pages 65-78

  Fernández, Michael ^a,b   Fernández, Leyden ^a   Caballero, Julio ^a,c   Abreu, José Ignacio ^a   Reyes, Grethel ^a  

^a UNIVERSITY OF MATANZAS   (Cuba)

^b KYUSHU INSTITUTE OF TECHNOLOGY   (Japan)

^c UNIVERSIDAD DE TALCA   (Chile)

Author keywords

Bayesian regularized genetic neural networks; Genetic algorithm; MMP inhibitors; QSAR analysis

Indexed keywords

COLLAGENASE 3; GELATINASE A; GELATINASE B; INTERSTITIAL COLLAGENASE; LIGAND; MATRIX METALLOPROTEINASE INHIBITOR; N HYDROXY 2 [(PHENYLSULFONYL)AMINO] ACETAMIDE DERIVATIVE; STROMELYSIN;

ARTICLE; ARTIFICIAL NEURAL NETWORK; BAYES THEOREM; CALCULATION; CHEMOMETRICS; CORRELATION COEFFICIENT; ELECTRICITY; ENZYME INHIBITION; GENETIC ALGORITHM; HYDROPHILICITY; HYDROPHOBICITY; MULTIPLE LINEAR REGRESSION ANALYSIS; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RELIABILITY;

ACETAMIDES; ALGORITHMS; ELECTROSTATICS; ENZYME INHIBITORS; HYDROPHOBICITY; MATRIX METALLOPROTEINASES; MODELS, MOLECULAR; NEURAL NETWORKS (COMPUTER); QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 45449097699     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2008.00675.x     Document Type: Article

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