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Original Articles

A QSAR investigation of dermal and respiratory chemical sensitizers based on computational chemistry properties

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Pages 429-451 | Received 06 Apr 2009, Accepted 15 Aug 2009, Published online: 12 Nov 2009

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Anke Wilm, Jochen Kühnl & Johannes Kirchmair. (2018) Computational approaches for skin sensitization prediction. Critical Reviews in Toxicology 48:9, pages 738-760.
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Arianna Bassan, Vinicius M. Alves, Alexander Amberg, Lennart T. Anger, Lisa Beilke, Andreas Bender, Autumn Bernal, Mark T.D. Cronin, Jui-Hua Hsieh, Candice Johnson, Raymond Kemper, Moiz Mumtaz, Louise Neilson, Manuela Pavan, Amy Pointon, Julia Pletz, Patricia Ruiz, Daniel P. Russo, Yogesh Sabnis, Reena Sandhu, Markus Schaefer, Lidiya Stavitskaya, David T. Szabo, Jean-Pierre Valentin, David Woolley, Craig Zwickl & Glenn J. Myatt. (2021) In silico approaches in organ toxicity hazard assessment: Current status and future needs for predicting heart, kidney and lung toxicities. Computational Toxicology 20, pages 100188.
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Zhiyuan Wang, Piaopiao Zhao, Xiaoxiao Zhang, Xuan Xu, Weihua Li, Guixia Liu & Yun Tang. (2021) In silico prediction of chemical respiratory toxicity via machine learning. Computational Toxicology 18, pages 100155.
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Martin J. Seed & Raymond M. Agius. (2017) Progress with Structure–Activity Relationship modelling of occupational chemical respiratory sensitizers. Current Opinion in Allergy & Clinical Immunology 17:2, pages 64-71.
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Nigel Greene & William Pennie. (2015) Computational toxicology, friend or foe?. Toxicol. Res. 4:5, pages 1159-1172.
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Ovanes Mekenyan, Grace Patlewicz, Chanita Kuseva, Ioanna Popova, Aycel Mehmed, Stefan Kotov, Teodor Zhechev, Todor Pavlov, Stanislav Temelkov & David W. Roberts. (2014) A Mechanistic Approach to Modeling Respiratory Sensitization. Chemical Research in Toxicology 27:2, pages 219-239.
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A. K. Madan, Sanjay Bajaj & Harish Dureja. 2013. Computational Toxicology. Computational Toxicology 99 124 .
Jing Lu, Mingyue Zheng, Yong Wang, Qiancheng Shen, Xiaomin Luo, Hualiang Jiang & Kaixian Chen. (2011) Fragment-based prediction of skin sensitization using recursive partitioning. Journal of Computer-Aided Molecular Design 25:9, pages 885-893.
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