A deep neural network combined with molecular fingerprints (DNN-MF) to develop predictive models for hydroxyl radical rate constants of water contaminants

[Display omitted] •Molecular fingerprints (MF) were inputs for a deep neural network (DNN) for QSAR.•MF can be generated and understood more easily than molecular descriptors.•DNN-MF is a fast, robust, and easy modeling approach for predictive models.•DNN-MF is promising in other environmental field...

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Veröffentlicht in:	Journal of hazardous materials 2020-02, Vol.383, p.121141-121141, Article 121141
Hauptverfasser:	Zhong, Shifa, Hu, Jiajie, Fan, Xudong, Yu, Xiong, Zhang, Huichun
Format:	Artikel
Sprache:	eng
Schlagworte:	Advanced oxidation processes Deep neural network Hydroxyl radical Molecular fingerprints QSAR Water treatment
Online-Zugang:	Volltext
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