QSAR models for biocides: The example of the prediction of Daphnia magna acute toxicity

SAR and QSAR in Environmental Research - Tập 31 Số 3 - Trang 227-243 - 2020
Marco Marzo1, Giovanna J. Lavado1, F. Como2, Alla P. Toropova1, Andrey A. Toropov1, Diego Baderna1, Claudia Cappelli1, Anna Lombardo1, Cosimo Toma1, María Blázquez3,4,5, Emilio Benfenati1
1Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCSS, Milano, Italy
2REACHUP srl, Milano, Italy
3CBET Research Group, Department of Zoology and Animal Cell Biology
4CBET Research Group, Department of Zoology and Animal Cell Biology; Faculty of Science and Technology and Research Centre for Experimental Marine Biology and Biotechnology PiE, University of the Basque Country UPV/EHU, Bilbao, Spain
5Inkoa Sistemas S.L., Bilbao, Spain

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Tài liệu tham khảo

10.1007/978-3-540-69796-1_10

10.1186/s12302-017-0130-0

10.1016/j.etap.2017.12.001

2012, Off. J., 167, 1

10.1186/2190-4715-25-4

European Commission, Report from the commission to the European parliament and the council on the implementation of the Union authorisation of biocidal products in accordance with Article 42 (3)of Regulation (EU) No 528/2012 of the European Parliament and of the Council concerning the making available on the market and use of biocidal products (2018). Available at https://ec.europa.eu/health/sites/health/files/biocides/docs/com2018342_en.pdf.

European Chemical Agency, Biocidal active substance. Available at https://echa.europa.eu/it/information-on-chemicals/biocidal-active-substances.

European Commission, Assessment of different options to address risks from the use phase of biocides (2009). Available at https://ec.europa.eu/environment/archives/ppps/pdf/final_report0309.pdf.

10.1016/j.envpol.2010.06.013

10.1016/j.buildenv.2012.02.021

10.1007/s12302-008-0033-1

10.1016/S0160-4120(03)00176-4

10.1016/j.proeng.2016.06.431

10.1787/9789264069947-en

Vighi M., 2006, Ecotossicologia

10.1016/S0269-7491(01)00119-1

10.1016/j.chemosphere.2009.01.081

Benfenati E., 2011, Quantitative Structure-Activity Relationships (QSAR) for Pesticide Regulatory Purposes

10.1021/es071430t

10.1002/etc.3466

10.1002/qsar.200810084

ECHA, Biocidal active substances. Active substance/product-type combinations submitted under Directive 98/8/EC or Regulation (EU) No 528/2012, including “existing” active substances included in the review programme and “new” active substances (2015). Available at https://echa.europa.eu/information-on-chemicals/biocidal-active-substances.

10.1145/1656274.1656280

SANCO/10597/2003, Guidance document on the assessment of the equivalence of technical materials of substances regulated under regulation (EC) No 1107/2009, Rev. 10.1 (2009). Available at https://ec.europa.eu/food/sites/food/files/plant/docs/pesticides_guidance_415equivalence-chem-substances_en.pdf.

10.1016/j.chemosphere.2019.04.204

Kode srl, Dragon (software for molecular descriptor calculation) version 7.0.8 (2017). Available at https://chm.kode-solutions.net.

Mauri A., 2006, Match, 56, 237

Todeschini R., 2004, DRAGON-software for the Calculation of Molecular Descriptors. Web Version 3

R. Silipo, I. Adae, A. Hart, and M. Berthold. Seven techniques for dimensionality reduction. Available at https://www.knime.com/sites/default/files/inline-images/knime_seventechniquesdatadimreduction.pdf.

10.1016/j.ejps.2012.06.021

10.1016/j.etap.2017.05.011

10.1111/j.1747-0285.2011.01279.x

10.1016/j.chemolab.2011.10.005

10.2174/221135251401160302120554

10.1016/j.envint.2019.105060

Ministry of Environment in Japan, Results of aquatic toxicity tests of chemicals conducted by Ministry of the Environment in Japan (March 2016). Available at https://www.env.go.jp/en/chemi/sesaku/aquatic_Mar_2016.pdf.