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Here, we correlate kij to the pure component parameters of the Perturbed Chain – Statistical Associating Fluid Theory (PC-SAFT) EoS, using a Quantitative Structure Property Relationship (QSPR) model.
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A Quantitative Structure Property Relationship (QSPR) model for the basal spacing of layered double hydroxide is developed in the present work by using generic algorithms feature selection, and relevance vector machine regression.
In this work, a quantitative structure property relationship (QSPR) study was employed to predict critical temperatures of binary mixtures.
The main aim of the present work was development of a quantitative structure-property relationship (QSPR) method using an artificial neural network (ANN) for the prediction of inherent viscosity (η inh) of a data set of 75 optically active polymers containing natural amino acids.
A quantitative structure-property relationship (QSPR) study is suggested for the prediction of retention times of volatile organic compounds.
A quantitative structure-property relationship method based on chemical structure images as molecular descriptors provided a reliable model for the soil sorption prediction of 24 widely used organophosphorus insecticides.
This study presented a quantitative structure-property relationship (QSPR) model to predict the SADT of 71 organic peroxides through their molecular structures.
In this study, a model to predict the AIT of organic compounds is built by using the quantitative structure property relationship (QSPR) approach.
Model parameters were obtained using quantitative structure property relationships (QSPRs) developed using multiple linear regression and artificial neural networks with Bayesian regularization.
This study aimed to develop prediction models for ionic conductivity and viscosity of ionic liquids (ILs) using quantitative structure property relationships (QSPR) coupled with the descriptors of group contribution type.
CMD uses quantitative structure property relations (QSPRs) and optimization techniques to design molecules possessing desired properties.
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