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SAR and QSAR in Environmental Research Volume 21, 2010 - Issue 7-8: 14th International Workshop on Quantitative Structure-Activity Relationships in Environmental and Health Sciences (QSAR2010) – Part 1
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Original Articles

QSAR modelling of bioconcentration factor using hydrophobicity, hydrogen bonding and topological descriptors

J.C. Dearden School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, UKCorrespondence[email protected]
&
M. Hewitt School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, UK
Pages 671-680 | Received 25 May 2010, Accepted 01 Aug 2010, Published online: 29 Nov 2010

Citations (10)

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Read on this site (2)

F. Lunghini, G. Marcou, P. Azam, R. Patoux, M.H. Enrici, F. Bonachera, D. Horvath & A. Varnek. (2019) QSPR models for bioconcentration factor (BCF): are they able to predict data of industrial interest?. SAR and QSAR in Environmental Research 30:7, pages 507-524.
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J. Devillers, J.P. Doucet, A. Doucet-Panaye, A. Decourtye & P. Aupinel. (2012) Linear and non-linear QSAR modelling of juvenile hormone esterase inhibitors. SAR and QSAR in Environmental Research 23:3-4, pages 357-369.
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Articles from other publishers (8)

Pengyu Chen, Yuxi Hu, Geng Chen, Na Zhao & Zhichao Dou. (2023) Probing the bioconcentration and metabolism disruption of bisphenol A and its analogues in adult female zebrafish from integrated AutoQSAR and metabolomics studies. Science of The Total Environment 905, pages 167011.
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Kabiruddin Khan, Vinay Kumar, Erika Colombo, Anna Lombardo, Emilio Benfenati & Kunal Roy. (2022) Intelligent consensus predictions of bioconcentration factor of pharmaceuticals using 2D and fragment-based descriptors. Environment International 170, pages 107625.
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Yuan Mei & Kaijun Wu. (2022) Application of multi-objective optimization in the study of anti-breast cancer candidate drugs. Scientific Reports 12:1.
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Haixin Ai, Xuewei Wu, Li Zhang, Mengyuan Qi, Ying Zhao, Qi Zhao, Jian Zhao & Hongsheng Liu. (2019) QSAR modelling study of the bioconcentration factor and toxicity of organic compounds to aquatic organisms using machine learning and ensemble methods. Ecotoxicology and Environmental Safety 179, pages 71-78.
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Rajni Garg & Carr J. Smith. (2014) Predicting the bioconcentration factor of highly hydrophobic organic chemicals. Food and Chemical Toxicology 69, pages 252-259.
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Subrata Pramanik & Kunal Roy. (2013) Modeling bioconcentration factor (BCF) using mechanistically interpretable descriptors computed from open source tool “PaDEL-Descriptor”. Environmental Science and Pollution Research 21:4, pages 2955-2965.
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Nicole A. Ducharme, Leif E. Peterson, Emilio Benfenati, David Reif, Catherine W. McCollum, Jan-Åke Gustafsson & Maria Bondesson. (2013) Meta-analysis of toxicity and teratogenicity of 133 chemicals from zebrafish developmental toxicity studies. Reproductive Toxicology 41, pages 98-108.
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Dave T.F. Kuo & Dominic M. Di Toro. (2013) Biotransformation model of neutral and weakly polar organic compounds in fish incorporating internal partitioning. Environmental Toxicology and Chemistry 32:8, pages 1873-1881.
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