QSPR prediction of the hydroxyl radical rate constant of water contaminants
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- 作者：Tohid Nejad Ghaffar Borhania ; t.ngborhani@imperial.ac.uk" class="auth_mail" title="E-mail the corresponding author ; tohid.n.borhani@gmail.com" class="auth_mail" title="E-mail the corresponding author ; Mohammadhossein Saniedaneshb ; Mehdi Bagheric ; Jeng Shiun Limb
- 关键词：Water contaminants ; Hydroxyl radical rate constant ; QSPR ; BPSO-MLR ; FFNN ; AOPs
- 刊名：Water Research
- 出版年：2016
- 出版时间：1 July 2016
- 年：2016
- 卷：98
- 期：Complete
- 页码：344-353
- 全文大小：1077 K
文摘
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Hydroxyl radical rate constants of 457 water contaminants modeled.
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PSO-MLR and FFNN were utilized to develop the models.
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Various internal and external validation techniques used to validate the models.
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The proposed models were compared to those reported earlier.
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The AARE% for entire dataset were 2.78 and 2.01 for PSO-MLR and FFNN models.