Compact Firefly Algorithm with Deep Learning Based Chromatic Condition Predictive Model for Organic Synthesis Purification

S. Kumaraswamy, Md. Abul Ala Walid, Neetesh K. Sharma, M. Jaimini, Deepak Sharma, Arnab Chakraborty
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引用次数: 5

Abstract

Chromatography is an effective method utilized in organic synthesis to purify and separate chemical compounds. There are many features which affect the efficacy and efficiency of chromatography, comprising the kind of chromatography utilized, the nature of instances, the type and size of columns, type of mobile phase, and flow rate. In recent times, Deep Learning (DL) has the potential to significantly increase the effectiveness and efficiency of chromatography for purification in organic synthesis allowing the analysis and optimizer of difficult procedures at a much quicker rate than is possible with classical approaches. With this motivation, this study develops a novel Compact Firefly Algorithm with Deep Learning based Chromatic Condition Predictive (CFADL-CCP) Model for Organic Synthesis Purification. The presented CFADL-CCP technique mainly predicts the chromatic conditions accurately and timely for organic synthesis purification. In the presented CFADL-CCP technique, two stage pipeline is involved. At the initial stage, the CFADL-CCP technique uses Deep Neural Network (DNN) model for prediction process. Next, in the second stage, the CFA is used for the optimal hyperparameter tuning of the DNN model which helps to accomplish enhanced predictive outcomes. To illustrate the enhanced predictive results of the CFADL-CCP method, an extensive range of simulations were performed. Extensive result analysis shows the betterment of the CFADL-CCP method over other compared methods.
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基于深度学习的紧凑萤火虫算法的有机合成净化色度条件预测模型
色谱法是有机合成中纯化和分离化合物的一种有效方法。影响色谱效果和效率的因素有很多,包括所用色谱的种类、样品的性质、色谱柱的类型和大小、流动相的类型和流速。近年来,深度学习(DL)有可能显著提高有机合成中纯化色谱的有效性和效率,从而比传统方法更快地分析和优化困难的过程。基于这一动机,本研究开发了一种新颖的基于深度学习的彩色条件预测(CFADL-CCP)模型的紧凑萤火虫算法,用于有机合成纯化。本文提出的CFADL-CCP技术主要是准确、及时地预测有机合成纯化的染色条件。在CFADL-CCP技术中,采用了两级流水线。在初始阶段,CFADL-CCP技术使用深度神经网络(DNN)模型进行预测过程。接下来,在第二阶段,CFA用于DNN模型的最优超参数调整,这有助于实现增强的预测结果。为了说明CFADL-CCP方法的增强预测结果,进行了广泛的模拟。广泛的结果分析表明,CFADL-CCP方法优于其他比较方法。
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