Mode of action-based local QSAR modeling for the prediction of acute toxicity in the fathead minnow

Journal of Molecular Graphics and Modelling

Volumn 26, Issue 1, 2007, Pages 327-335

  Yuan, Hua ^a   Wang, Yong Yan ^a   Cheng, Yi Yu ^a  

^a ZHEJIANG UNIVERSITY   (China)

Author keywords

Acute toxicity; Local global models; Mode of action (MOA); Partial least squares (PLS); Quantitative structure activity relationship (QSAR)

Indexed keywords

DATA ACQUISITION; LEAST SQUARES APPROXIMATIONS; MATHEMATICAL MODELS; TOXIC MATERIALS; TOXICITY;

CHEMICAL DOMAINS; FATHEAD MINNOW; PARTIAL LEAST SQUARES; RELATIVE STANDARD ERROR; TOXIC RESPONSE; TOXICITY ENDPOINT;

MOLECULAR DYNAMICS;

FISH VENOM;

ACCURACY; ACUTE TOXICITY; ARTICLE; CONCENTRATION (PARAMETERS); DATA BASE; DERIVATIZATION; ERROR; FISH; LC 50; MOLECULAR MODEL; NONHUMAN; PARTIAL LEAST SQUARES REGRESSION; PIMEPHALES PROMELAS; PREDICTION; PRIORITY JOURNAL; PROTEIN DOMAIN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RELIABILITY; STATISTICAL ANALYSIS; STATISTICAL MODEL;

ACUTE TOXICITY TESTS; ANIMALS; CONFIDENCE INTERVALS; CYPRINIDAE; DATABASES, FACTUAL; DRUG TOXICITY; HUMANS; LEAST-SQUARES ANALYSIS; MODELS, CHEMICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

PIMEPHALES PROMELAS;

EID: 34250825348     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2006.12.009     Document Type: Article

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