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SAR and QSAR in Environmental Research Volume 31, 2020 - Issue 3
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Modelling of ready biodegradability based on combined public and industrial data sources

F. LunghiniLaboratory of Chemoinformatics - UMR7140, CNRS/University of Strasbourg, Strasbourg, France;Toxicological and Environmental Risk Assessment Unit, Solvay S.A., St. Fons, FranceORCID Iconhttps://orcid.org/0000-0002-4625-6736
ORCID Icon,
G. MarcouLaboratory of Chemoinformatics - UMR7140, CNRS/University of Strasbourg, Strasbourg, FranceCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-1676-6708
ORCID Icon,
P. GantzerLaboratory of Chemoinformatics - UMR7140, CNRS/University of Strasbourg, Strasbourg, FranceORCID Iconhttps://orcid.org/0000-0001-7494-458X
ORCID Icon,
P. AzamToxicological and Environmental Risk Assessment Unit, Solvay S.A., St. Fons, FranceORCID Iconhttps://orcid.org/0000-0002-2974-2484
ORCID Icon,
D. HorvathLaboratory of Chemoinformatics - UMR7140, CNRS/University of Strasbourg, Strasbourg, FranceORCID Iconhttps://orcid.org/0000-0003-0173-5714
ORCID Icon,
E. Van MiertToxicological and Environmental Risk Assessment Unit, Solvay S.A., St. Fons, FranceORCID Iconhttps://orcid.org/0000-0001-6653-1371
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A. VarnekLaboratory of Chemoinformatics - UMR7140, CNRS/University of Strasbourg, Strasbourg, FranceCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-1886-925X
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Pages 171-186 | Received 01 Oct 2019, Accepted 21 Nov 2019, Published online: 20 Dec 2019

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F. Lunghini, G. Marcou, P. Azam, M.H. Enrici, E. Van Miert & A. Varnek. (2020) Consensus QSAR models estimating acute toxicity to aquatic organisms from different trophic levels: algae, Daphnia and fish. SAR and QSAR in Environmental Research 31:9, pages 655-675.
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F. Lunghini, G. Marcou, P. Azam, M.H. Enrici, E. Van Miert & A. Varnek. (2020) Publicly available QSPR models for environmental media persistence. SAR and QSAR in Environmental Research 31:7, pages 493-510.
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Articles from other publishers (11)

Shan Jiang, Yuzhen Liang, Songlin Shi, Chunya Wu & Zhenqing Shi. (2023) Improving predictions and understanding of primary and ultimate biodegradation rates with machine learning models. Science of The Total Environment 904, pages 166623.
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Alaa M. Elsayad, Medien Zeghid, Hassan Yousif Ahmed & Khaled A. Elsayad. (2023) Exploration of Biodegradable Substances Using Machine Learning Techniques. Sustainability 15:17, pages 12764.
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Ana B. Rios-Miguel, Tamara J.H.M. van Bergen, Caterina Zillien, Ad M.J. Ragas, Rosalie van Zelm, Mike S.M. Jetten, A. Jan Hendriks & Cornelia U. Welte. (2023) Predicting and improving the microbial removal of organic micropollutants during wastewater treatment: A review. Chemosphere 333, pages 138908.
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Hongyan Yin, Cheng Lin, Yujia Tian & Aixia Yan. (2023) Prediction and Structure–Activity Relationship Analysis on Ready Biodegradability of Chemical Using Machine Learning Method. Chemical Research in Toxicology 36:4, pages 617-629.
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Kuan Huang & Huichun Zhang. (2022) Classification and Regression Machine Learning Models for Predicting Aerobic Ready and Inherent Biodegradation of Organic Chemicals in Water. Environmental Science & Technology 56:17, pages 12755-12764.
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Tom M. Nolte, Willie J.G.M. Peijnenburg, Ana B. Rios- Miguel, Ya-nan Zhang & A. Jan Hendriks. (2022) Stoichiometric ratios for biotics and xenobiotics capture effective metabolic coupling to re(de)fine biodegradation. Water Research 217, pages 118333.
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Myeonghun Lee & Kyoungmin Min. (2022) A Comparative Study of the Performance for Predicting Biodegradability Classification: The Quantitative Structure–Activity Relationship Model vs the Graph Convolutional Network. ACS Omega 7:4, pages 3649-3655.
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Philippe Gantzer, Benoit Creton & Carlos Nieto-Draghi. (2021) Comparisons of Molecular Structure Generation Methods Based on Fragment Assemblies and Genetic Graphs. Journal of Chemical Information and Modeling 61:9, pages 4245-4258.
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Stefanie Lorenz, Ann-Kathrin Amsel, Neele Puhlmann, Marco Reich, Oliver Olsson & Klaus Kümmerer. (2021) Toward Application and Implementation of in Silico Tools and Workflows within Benign by Design Approaches . ACS Sustainable Chemistry & Engineering 9:37, pages 12461-12475.
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Filippo Lunghini, Marcou Gilles, Philippe Azam, Marie‐Hélène Enrici, Erik Van Miert & Alexandre Varnek. (2020) Visualization and Analysis of the REACH‐chemical Space with Generative Topographic Mapping. Molecular Informatics 40:4.
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Alaa M. Elsayad, Ahmed M. Nassef, Mujahed Al-Dhaifallah & Khaled A. Elsayad. (2020) Classification of Biodegradable Substances Using Balanced Random Trees and Boosted C5.0 Decision Trees. International Journal of Environmental Research and Public Health 17:24, pages 9322.
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