Comparative QSAR studies of nitrofuranyl amide derivatives using theoretical structural properties

Molecular Simulation

Volumn 35, Issue 14, 2009, Pages 1185-1200

  Ghosh, Payel ^a   Bagchi, M C ^a  

^a INDIAN INSTITUTE OF CHEMICAL BIOLOGY   (India)

Author keywords

Genetic algorithm; Nitrofuranyl amide; Partial least squares (PLS); Quantitative structure activity relationship (QSAR); Simulated annealing

Indexed keywords

ATOMIC PROPERTIES; BACTERIAL CELLS; BIOLOGICAL INTERACTIONS; CONTRIBUTION PLOTS; DESCRIPTORS; ELECTROSTATIC FIELD; FEATURE SELECTION METHODS; HYDROPHOBIC PROPERTIES; MODEL DEVELOPMENT; MOLECULAR DESCRIPTORS; MYCOBACTERIAL; MYCOBACTERIUM TUBERCULOSIS STRAINS; NITROFURANYL AMIDE; PARTIAL LEAST SQUARE METHODS; PARTIAL LEAST SQUARES (PLS); QSAR ANALYSIS; QSAR MODEL; QSAR STUDIES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP (QSAR); QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS; STEPWISE REGRESSION; STRUCTURAL INSIGHTS; THERAPEUTIC INDEX; TOPOLOGICAL INDEX; VARIABLE SELECTION METHODS;

AMIDES; ANNEALING; DRUG PRODUCTS; DRUG THERAPY; GENETIC ALGORITHMS; MOLECULAR GRAPHICS; SULFUR COMPOUNDS; THREE DIMENSIONAL;

SIMULATED ANNEALING;

EID: 70449111632     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020903033141     Document Type: Article

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