dc.contributor.author | Koc, Dilek Imren | |
dc.contributor.author | Koc, Mehmet Levent | |
dc.date.accessioned | 2019-07-27T12:10:23Z | |
dc.date.accessioned | 2019-07-28T09:56:09Z | |
dc.date.available | 2019-07-27T12:10:23Z | |
dc.date.available | 2019-07-28T09:56:09Z | |
dc.date.issued | 2015 | |
dc.identifier.issn | 0169-7439 | |
dc.identifier.issn | 1873-3239 | |
dc.identifier.uri | https://dx.doi.org/10.1016/j.chemolab.2015.04.005 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12418/7851 | |
dc.description | WOS: 000355353700015 | en_US |
dc.description.abstract | In this study, linear and nonlinear quantitative structure-property relationship (QSPR) models, respectively called the multiple linear regression based QSPR (MLR-QSPR) model and the genetic programming based QSPR (GP-QSPR) model, were built to predict the solubility parameters of polymers with structure -((CH2)-H-1-(CRR4)-R-2-R-3)-, as function of some constitutional, topological and quantum chemical descriptors. The results from the internal validation analysis indicated that the GP-QSPR model has better goodness of fit statistics. The external and overall validation measures also confirmed that the GP-QSPR model significantly outperforms the MLR-QSPR model in terms of some performance metrics over the same testing data set, and that genetic programming has good potential to obtain more accurate models in QSPR studies. (C) 2015 Elsevier B.V. All rights reserved. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | ELSEVIER SCIENCE BV | en_US |
dc.relation.isversionof | 10.1016/j.chemolab.2015.04.005 | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | Solubility parameter | en_US |
dc.subject | Genetic programming | en_US |
dc.subject | Polymers | en_US |
dc.subject | Linear regression | en_US |
dc.subject | QSPR | en_US |
dc.title | A genetic programming-based QSPR model for predicting solubility parameters of polymers | en_US |
dc.type | article | en_US |
dc.relation.journal | CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS | en_US |
dc.contributor.department | [Koc, Dilek Imren] Cumhuriyet Univ, Dept Chem Engn, Fac Engn, TR-58140 Sivas, Turkey -- [Koc, Mehmet Levent] Cumhuriyet Univ, Dept Civil Engn, Fac Engn, TR-58140 Sivas, Turkey | en_US |
dc.identifier.volume | 144 | en_US |
dc.identifier.endpage | 127 | en_US |
dc.identifier.startpage | 122 | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |