QSAR-analysis of acute toxicity of industrial pollutants to the guppy using molecular connectivity indices

article
Leegwater, D.C.
A comparative study was made of the use of log P values and molecular connectivity indices to predict the acute toxicity (LC50) of a variety of industrial pollutants to the guppy by means of (multiple) regression analysis. It was found that QSARs based on chi(2)v or a combination of chi(0)v, chi(0), and a dummy variable for the presence of a benzene ring were equivalent and sometimes even superior to those based on log P values. Chemicals/CAS: chlorobenzene, 108-90-7
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chlorobenzenehalogenated hydrocarbonindustrial chemicalanimal experimentchloroanilinechlorotoluenefishguppylc 50nitroanilinenitrotoluenenonhumanpollutionpriority journalquantitative structure activity relation
TNO Identifier
230811
Repository link
https://resolver.tno.nl/uuid:8794fc08-84d5-469f-8aaa-cbe98b5d521a
ISSN
0166445X
Source
Aquatic Toxicology, 15(2), pp. 157-168.
Pages
157-168
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