Change search
ReferencesLink to record
Permanent link

Direct link
Human experts' judgment of chemicals reactivity for identification of hazardous chemicals
Stockholm University, Faculty of Science, Department of Environmental Chemistry.
Show others and affiliations
2009 (English)In: Toxicology Letters, ISSN 0378-4274, Vol. 189, S243-S243 p.Article in journal (Other academic) Published
Abstract [en]

The development of non-testing approaches for the identification

of chemicals with the potential to cause environmental hazards,

have gained increased attention. In this study the hypothesis that

experts’ judgement of chemical reactivity could be used for this

purpose has been tested. The judgments of chemical reactivity for

200 organic chemicals, based on their molecular structure were

performed by four senior organic and environmental chemists.

Potentials for reactivity (namely: oxidative/reductive reactivity,

hydrolysis, direct photolysis, reactivity towards radicals) were

scored on the 1– scale. Both the experts’ individual judgment,

and a compromised judgment after joint discussion for clarification

of cases with divergent opinions, was analysed. Furthermore we

searched for relations between the expert judgement data and: (a)

the chemical characteristics representedby 40 chemical descriptors

using partial least squares regression (PLS), and (b) experimental

and in silico data for different toxicological and physico-chemical

end-points. The results of on-going analyses indicate that for the

majority of the chemicals, the individual judgments differed significantly

between experts but after discussion among the experts

for clarification, the judgments becamemuch more concurrent. The

relation between averaged experts’ predicted photolytic degradation

potential and chemical characteristic based on a PLS model

(with three significant components explaining 76% of the variation)

was found. We have also found that in the group of the

chemicals with the higher score of the experts judged oxidative

reactivity there was higher percentage of biodegradable chemicals

when compar

Place, publisher, year, edition, pages
2009. Vol. 189, S243-S243 p.
Research subject
Environmental Chemistry
URN: urn:nbn:se:su:diva-36275DOI: 10.1016/j.toxlet.2009.06.464OAI: diva2:289139
Available from: 2010-01-22 Created: 2010-01-22Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Bergman,, Åke
By organisation
Department of Environmental Chemistry
In the same journal
Toxicology Letters

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 19 hits
ReferencesLink to record
Permanent link

Direct link