QSPR models for bioconcentration factor (BCF): are they able to predict data of industrial interest?

Author:

Lunghini F.12,Marcou G.1ORCID,Azam P.2,Patoux R.2,Enrici M.H.2,Bonachera F.1,Horvath D.1,Varnek A.1

Affiliation:

1. Laboratory of Chemoinformatics, University of Strasbourg, Strasbourg, France

2. Solvay S.A., France

Publisher

Informa UK Limited

Subject

Drug Discovery,Molecular Medicine,General Medicine,Bioengineering

Reference43 articles.

1. Bioaccumulation and Occurrence of Endocrine-Disrupting Chemicals (EDCs), Persistent Organic Pollutants (POPs), and Other Organic Compounds in Fish and Other Organisms Including Humans

2. European Commission, Technical guidance document in support of commission directive 93/67/EEC on risk assessment for new notified substances and commission regulation (EC) No 1488/94 on risk assessment for existing substances, Tech. Rep. EUR 20418 EN/2, Institute for Health and Consumer Protection, Joint Research Centre, Ispra, IT, 2003.

3. OECD, Test No. 305: Bioaccumulation in fish: Aqueous and dietary exposure, Tech Rep. 9264185291, Organisation for Economic Co-operation Development, Paris, FR, 2012. doi:10.1094/PDIS-11-11-0999-PDN

4. ECHA, Guidance on information requirements and chemical safety assessment, r.11: PBT/vPvB assessment, Tech. Rep. ED-01-17-294, European Chemicals Agency, Helsinki, FI, 2017.

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