Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String

Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String

A new method of Hansen solubility parameters (HSPs) prediction was developed by combining the multivariate adaptive regression splines (MARSplines) methodology with a simple multivariable regression involving 1D and 2D PaDEL molecular descriptors. In order to adopt the MARSplines approach to QSPR/QS...

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Bibliographic Details
Main Authors: Maciej Przybyłek, Tomasz Jeliński, Piotr Cysewski
Format: Article
Language:English
Published: Wiley 2019-01-01
Series:Journal of Chemistry
Online Access:http://dx.doi.org/10.1155/2019/9858371
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