Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity

Bioorganic and Medicinal Chemistry

Volumn 16, Issue 10, 2008, Pages 5720-5732

  Pérez Garrido, Alfonso ^a   González, Maykel Pérez ^b,c   Escudero, Amalio Garrido ^a  

^a CATHOLIC UNIVERSITY OF MURCIA   (Spain)

^b CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^c UNIVERSITY OF VIGO   (Spain)

Author keywords

Haloacetic acids; Mutagenicity; QSAR; Spectral moments

Indexed keywords

ACETIC ACID DERIVATIVE; BROMODICHLOROACETIC ACID; HALOACETIC ACID DERIVATIVE; HALOGEN; TRIBROMOACETIC ACID; TRICHLOROACETIC ACID;

ARTICLE; MODEL; MUTAGENICITY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL ANALYSIS; VALIDATION PROCESS;

ACETIC ACIDS; COMPUTER SIMULATION; DATA COLLECTION; MODELS, CHEMICAL; MODELS, MOLECULAR; MUTAGENICITY TESTS; PREDICTIVE VALUE OF TESTS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; SENSITIVITY AND SPECIFICITY; STRUCTURE-ACTIVITY RELATIONSHIP; TRICHLOROACETIC ACID;

EID: 43749101322     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2008.03.070     Document Type: Article

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