Prediction of the Q-e parameters from structures of transfer chain agents

Toropova, Alla P.; Toropov, Andrey A.; Kudyshkin, V. O.; Ralló, Robert

doi:10.1007/s10965-015-0778-3

Cited by 3 publications

(1 citation statement)

References 27 publications

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“…*) Vk is the validation set related to k-th split; the preferable predictive potential of models (obtained using TF1 or TF2) indicated by bold 13. …”

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confidence: 99%

The system of self-consistent QSPR-models for refractive index of polymers

2022

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Quantitative structure-property/activity relationships (QSPRs/QSARs) are a component of modern natural science. The system of self-consistent models is a specific approach to build up QSPR/QSAR.A group of models of refractive index for different distributions in training and test sets compared.This comparison is a basis to formulate the system of self-consistent models. The so-called index of ideality of correlation (IIC) has been used to improve the predictive potential of models of the refractive index of different polymers (n=255). The predictive potential of the suggested models is high since the average value of the determination coefficient for the validation set is 0.885. In addition, the system of self-consistent models may be applied as a tool to assess the predictive potential of an arbitrary QSPR-approach.

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“…*) Vk is the validation set related to k-th split; the preferable predictive potential of models (obtained using TF1 or TF2) indicated by bold 13. …”

mentioning

confidence: 99%

The system of self-consistent QSPR-models for refractive index of polymers

2022

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Applying the Monte Carlo technique to build up models of glass transition temperatures of diverse polymers

et al. 2020

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The System of Self-Consistent QSPR-Models for Refractive Index of Polymers

Toropov

Toropova

Kudyshkin³

2021

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Quantitative structure-property/activity relationships (QSPRs/QSARs) are a component of modern natural science. The system of self-consistent models is a specific approach to build up QSPR/QSAR. A group of models of refractive index for different distributions in training and test sets compared. This comparison is a basis to formulate the system of self-consistent models. The so-called index of ideality of correlation (IIC) has been used to improve the predictive potential of models of the refractive index of different polymers (n=255). The predictive potential of the suggested models is high since the average value of the determination coefficient for the validation set is 0.885. In addition, the system of self-consistent models may be applied as a tool to assess the predictive potential of an arbitrary QSPR-approach.

show abstract

Prediction of the Q-e parameters from structures of transfer chain agents

Cited by 3 publications

References 27 publications

The system of self-consistent QSPR-models for refractive index of polymers

The system of self-consistent QSPR-models for refractive index of polymers

Applying the Monte Carlo technique to build up models of glass transition temperatures of diverse polymers

The System of Self-Consistent QSPR-Models for Refractive Index of Polymers

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