2020
DOI: 10.1021/acs.jced.0c00168
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Dragonfly-Support Vector Machine for Regression Modeling of the Activity Coefficient at Infinite Dilution of Solutes in Imidazolium Ionic Liquids Using σ-Profile Descriptors

Abstract: Ionic liquids (ILs) have shown remarkable potential for applications in separation, such as extractive distillation and liquid–liquid extraction. Crucial to these applications is the estimation of a significant property of the ILs which is the infinite dilution activity coefficient (IDAC) of different solutes in ILs. In this context, the present paper aims to model IDAC of 17 solutes in 44 imidazolium ILs using 2666 experimental data points gathered from the literature and based on support vector machine for t… Show more

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Cited by 37 publications
(38 citation statements)
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“…The best validation performance is 10 À4 at epoch (iterations) 1,000 for the best network topology with overall MAPE of 2.4535%, % RMSE of 2.54%, values of bias factor B f ¼ 1 and accuracy factor A f ¼ 1, which indicates that the model is valid in the predicting of FR. The values of K and K' indicates that the model is acceptable (Benimam et al 2020).…”
Section: Resultsmentioning
confidence: 98%
“…The best validation performance is 10 À4 at epoch (iterations) 1,000 for the best network topology with overall MAPE of 2.4535%, % RMSE of 2.54%, values of bias factor B f ¼ 1 and accuracy factor A f ¼ 1, which indicates that the model is valid in the predicting of FR. The values of K and K' indicates that the model is acceptable (Benimam et al 2020).…”
Section: Resultsmentioning
confidence: 98%
“…In this work the performance and reliability of the ANN model were evaluated by various statistical criteria including the relative absolute error (RAE%), the mean relative absolute error (MRAE), the mean square error (MSE), the Correlation Coefficient (R), the Coefficient of determination (R 2 ) [22] .…”
Section: Resultsmentioning
confidence: 99%
“…23 More details about the SVM model optimisation equation and the kernel functions can be found in ref. [24][25][26] A novel metaheuristic optimisation algorithm named Dragonfly (DA) was developed by S. Mirjalili 27 based on the behaviour of dragonflies. 27 This algorithm was coupled with SVM method to tune its hyper-parameters.…”
Section: Methodsmentioning
confidence: 99%