Qsar investigation of a large data set for fish, algae and Daphnia toxicity
| Autor: | A P Wortha, S Jeram, B Sokull-Klüttgen, Tatiana I. Netzeva, Mark T. D. Cronin, Iglika Lessigiarska, John C. Dearden |
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| Rok vydání: | 2004 |
| Předmět: |
Narcotics
Octanols Quantitative structure–activity relationship Databases Factual Quantitative Structure-Activity Relationship Bioengineering Daphnia Hazardous Substances Toxicology Chemical mixtures Algae Toxicity Tests Drug Discovery Animals media_common.cataloged_instance European Union European union media_common biology Chemistry Fishes Eukaryota Water General Medicine biology.organism_classification Joint research Environmental chemistry Toxicity Molecular Medicine Fish Algorithms |
| Zdroj: | SAR and QSAR in Environmental Research. 15:413-431 |
| ISSN: | 1029-046X 1062-936X |
| DOI: | 10.1080/10629360412331297416 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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