利用 Bootstrap 聚合神经网络建立有机分子排斥模型,以评估正向渗透工艺的性能

Fouad Kratbi, Y. Ammi, S. Hanini
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引用次数: 0

摘要

目前,对正渗透工艺的研究较多,以取代另一种耗能工艺,为此,许多研究都涉及不同分子的剔除、能耗以及与正渗透工艺相关的不同目标的建模。我们的研究包括建立有机分子(中性和离子性)在流化床工艺中的剔除模型;不过,本文是同时应用基于定量-结构-性能关系的单一神经网络(QSPR-SNN)和自举法聚合神经网络(BANN)来预测 53 种有机物的剔除。根据所获得的结果,使用相关系数 "R "来评估每个模型对未见数据的性能,QSPR-BANN 的 R 值等于 0.9909,高于 SNN 的 0.9401,QSPR-BANN 的均方根误差分别等于 0.5764% 和 1.2826%,小于 QSPR-SNN 的均方根误差。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The modeling of the Organic Molecules Rejection using the Bootstrap Aggregated Neural Networks for the evaluation of the Forward Osmosis Process performance
The forward osmosis process is currently more studied to be a replacement for another consuming-energy process, for this, many works show up the rejection of different molecules, energy consumption, and modeling of different objectives related to FO process. Our study consists to model the rejection of organic molecules (neutral and ionic) by FO process; however, this paper is the simultaneous applications of the single neural network based on quantitative- structure properties relationship (QSPR-SNN) and the bootstrap aggregated neural network (BANN) to predict the rejection of 53 OM. According to the results obtained, the coefficient correlation "R" is used to evaluate the performance of each model for the unseen data, the QSPR-BANN gives R value equal to 0.9909 higher than the value of the SNN which is 0.9401, the Root Mean Square Error of the QSPR-BANN is less than that of the QSPR-SNN with values equal to 0.5764% and 1.2826% respectively.
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