Assessing the reliability of a QSAR model's predictions

Journal of Molecular Graphics and Modelling

Volumn 23, Issue 6, 2005, Pages 503-523

  He, Linnan ^a   Jurs, Peter C ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

Fathead minnow acute aquatic toxicity; Hierarchical clustering; QSAR model

Indexed keywords

COMPUTATIONAL METHODS; MATHEMATICAL MODELS; RELIABILITY THEORY; TOXICITY;

COMPUTATIONAL CHEMISTRY; DATA SETS; QSAR MODEL; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS (QSAR);

MOLECULAR GRAPHICS;

ALCOHOL DERIVATIVE;

ACCURACY; ARTICLE; CLUSTER ANALYSIS; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TOXICITY TESTING;

MODELS, CHEMICAL; ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; TOXICITY TESTS;

PIMEPHALES PROMELAS;

EID: 20444404916     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2005.03.003     Document Type: Article

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