Staff Publications

Staff Publications

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    'Staff publications' is the digital repository of Wageningen University & Research

    'Staff publications' contains references to publications authored by Wageningen University staff from 1976 onward.

    Publications authored by the staff of the Research Institutes are available from 1995 onwards.

    Full text documents are added when available. The database is updated daily and currently holds about 240,000 items, of which 72,000 in open access.

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Record number 357093
Title What proportion of the EINECS list compounds can be covered by QSAR models?
Author(s) Zvinavashe, E.; Soffers, A.E.M.F.; Murk, A.J.; Vervoort, J.J.M.; Freidig, A.; Rietjens, I.M.C.M.
Source Chemico-Biological Interactions 169 (2007)2. - ISSN 0009-2797 - p. 143 - 143.
DOI https://doi.org/10.1016/j.cbi.2007.06.030
Department(s) Toxicology
Biochemistry
VLAG
WIMEK
Publication type Abstract in scientific journal or proceedings
Publication year 2007
Abstract Within the EU, there is currently much debate about the large number of animals that may be used for experimental testing due to the pending new chemical control system called REACH. One of the main goals of REACH is to close existing toxicity data gaps for EINECS chemicals. Within REACH, there is a provision to use sufficiently validated QSAR models to reduce some of the existing toxicity gaps. Some estimates indicate potential savings of up to one-third of experimental test animals upon average acceptance of alternative models including QSARs. In the current project, the possibilities to develop validated ecotoxicological QSAR models for nitrobenzenes, organophosphates and chlorinated alkanes are explored. In order to extend the number of chemical groups and chemicals that can be covered by QSAR models, the US Environmental Protection Agency ECOSAR Class program is consulted. Existing ECOSAR QSAR models are analyzed and improved where possible. EINECS compounds that fit into the domain of the various QSAR models are defined. Altogether, this results in an estimate of the percentage of EINECS compounds that can be covered by QSAR models.
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