Validation of quantitative structure-activity relationship models to predict water-solubility of organic compounds

Science of the Total Environment

Volumn 463-464, Issue , 2013, Pages 781-789

  Cappelli, Claudia Ileana ^a   Manganelli, Serena ^a   Lombardo, Anna ^a   Gissi, Andrea ^a,b   Benfenati, Emilio ^a  

^a MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

^b UNIVERSITY OF BARI   (Italy)

Author keywords

Comparison study; Quantitative structure activity relationships; REACH; Water solubility

Indexed keywords

SOLUBILITY;

COMPARISON STUDY; COMPUTER MODELS; ENVIRONMENTAL STUDIES; EXPERIMENTAL VALUES; PERFORMANCE; PHYSICOCHEMICAL PROPERTY; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP MODELING; REACH; WATER SOLUBILITIES;

FORECASTING;

ORGANIC COMPOUND;

COMPARATIVE STUDY; DRUG; EXPERIMENTAL STUDY; ORGANIC COMPOUND; PHYSICOCHEMICAL PROPERTY; QUANTITATIVE ANALYSIS; SOLUBILITY;

ACCURACY; ARTICLE; CHEMICAL STRUCTURE; CLASSIFICATION; COMPUTER MODEL; COMPUTER SIMULATION; PHYSICAL CHEMISTRY; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; WATER SOLUBILITY;

EID: 84880431442     PISSN: 00489697     EISSN: 18791026     Source Type: Journal    
DOI: 10.1016/j.scitotenv.2013.06.081     Document Type: Article

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