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Qsar investigation of a large data set for fish, algae and Daphnia toxicity.
Qsar investigation of a large data set for fish, algae and Daphnia toxicity.
- Source :
-
SAR and QSAR in environmental research [SAR QSAR Environ Res] 2004 Oct-Dec; Vol. 15 (5-6), pp. 413-31. - Publication Year :
- 2004
-
Abstract
- A large data set containing values for fish, algae and Daphnia toxicity for more than 2000 chemicals and mixtures was investigated. The data set was taken from the New Chemicals Data Base of the European Union [hosted by the European Chemicals Bureau, Joint Research Centre, European Commission (http://ecb.jrc.it)]. The data are submitted by industry, according to the requirements of EU Council Directive 67/548/EEC as amended for the seventh time by EU Council Directive 92/32/EEC. The toxicities of neutral chemicals, salts, metal complexes, as well as chemical mixtures were extracted. A baseline effect was demonstrated by chemicals known to act by a narcotic mechanism of action, i.e., a relationship was observed between the toxicity and the logarithm of the octanol-water partition coefficient (log P). However, the prediction of the toxicity of more reactive chemicals was found to require the use of additional descriptors.
- Subjects :
- Algorithms
Animals
Daphnia metabolism
Databases, Factual
Eukaryota metabolism
European Union
Narcotics chemistry
Narcotics metabolism
Narcotics toxicity
Octanols chemistry
Toxicity Tests
Water chemistry
Daphnia drug effects
Eukaryota drug effects
Fishes metabolism
Hazardous Substances toxicity
Quantitative Structure-Activity Relationship
Subjects
Details
- Language :
- English
- ISSN :
- 1062-936X
- Volume :
- 15
- Issue :
- 5-6
- Database :
- MEDLINE
- Journal :
- SAR and QSAR in environmental research
- Publication Type :
- Academic Journal
- Accession number :
- 15669699
- Full Text :
- https://doi.org/10.1080/10629360412331297416