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- Rännar, StefanUmeå universitet,Kemiska institutionen (author)
A Novel Approach Using Hierarchical Clustering To Select Industrial Chemicals for Environmental Impact Assessment
- Article/chapterEnglish2010
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- 2010-01-06
- American Chemical Society,2010
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- LIBRIS-ID:oai:DiVA.org:umu-30645
- https://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-30645URI
- https://doi.org/10.1021/ci9003255DOI
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- Language:English
- Summary in:English
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- We propose a four-step strategy, based on principal component analysis and hierarchical clustering, for selecting structurally dissimilar organic substances from a list of commercial, high volume production chemicals. The selection strategy also presents alternative structures with similar characteristics, so that practical aspects of future testing can be easily addressed. The selected compounds listed in this Article are intended for further study regarding their environmental impact and as potential pollutants.
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- Andersson, Patrik LUmeå universitet,Kemiska institutionen(Swepub:umu)paan0001 (author)
- Umeå universitetKemiska institutionen (creator_code:org_t)
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- In:Journal of chemical information and modeling: American Chemical Society50:1, s. 30-61549-960X1549-9596
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