Quantitative structure-activity relationship for toxicity of ionic liquids to Daphnia magna: Aromaticity vs. lipophilicity

Chemosphere

Volumn 112, Issue , 2014, Pages 120-127

  Roy, Kunal ^a,b   Das, Rudra Narayan ^b   Popelier, Paul L A ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

^b JADAVPUR UNIVERSITY   (India)

Author keywords

Aromaticity; ETA; Ionic liquid; Lipophilicity; QSAR; QTMS

Indexed keywords

AROMATIZATION; ATOMS; INTERNATIONAL COOPERATION; IONIC LIQUIDS; LEAST SQUARES APPROXIMATIONS; LINEAR REGRESSION; MOLECULAR GRAPHICS; TOPOLOGY; TOXICITY; WATER POLLUTION;

AROMATICITIES; LIPOPHILICITY; ORGANIZATION FOR ECONOMIC CO-OPERATION AND DEVELOPMENT; QSAR; QTMS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS; QUANTUM TOPOLOGICAL MOLECULAR SIMILARITIES;

COMPUTATIONAL CHEMISTRY;

IONIC LIQUID; NITROGEN;

CATION; CRUSTACEAN; ECOTOXICOLOGY; NUMERICAL MODEL; OECD; SALT; SOLUBILITY; TOXICITY TEST;

ANIMAL EXPERIMENT; AROMATIZATION; ARTICLE; CHEMICAL STRUCTURE; CONTROLLED STUDY; DAPHNIA MAGNA; ECOTOXICITY; LC 50; LIPOPHILICITY; MULTIPLE LINEAR REGRESSION ANALYSIS; NONHUMAN; PARTIAL LEAST SQUARES REGRESSION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SOLUBILITY; STATISTICAL MODEL; TOXICITY TESTING;

AROMATICITY; ETA; IONIC LIQUID; LIPOPHILICITY; QSAR; QTMS;

ANIMALS; DAPHNIA; GREEN CHEMISTRY TECHNOLOGY; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; IONIC LIQUIDS; LEAST-SQUARES ANALYSIS; MODELS, STATISTICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOLUBILITY; SOLVENTS; TOXICITY TESTS;

EID: 84903307416     PISSN: 00456535     EISSN: 18791298     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2014.04.002     Document Type: Article

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