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GCGP_refs.bib
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title = {Random {{Forest Models To Predict Aqueous Solubility}}},
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title = {Developing a {{Robust Model Based}} on the {{Gaussian Process Regression Approach}} to {{Predict Biodiesel Properties}}},
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year = {2021},
journal = {International Journal of Chemical Engineering},
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issn = {1687-8078},
doi = {10.1155/2021/5650499},
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copyright = {Copyright {\copyright} 2021 Inna Pustokhina et al.},
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title = {Gaussian {{Processes}}:\, {{A Method}} for {{Automatic QSAR Modeling}} of {{ADME Properties}}},
shorttitle = {Gaussian {{Processes}}},
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title = {Support {{Vector Machines-Based Quantitative Structure}}-{{Property Relationship}} for the {{Prediction}} of {{Heat Capacity}}},
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title = {Application of Support Vector Machine ({{SVM}}) for Prediction Toxic Activity of Different Data Sets},
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year = {2006},
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journal = {Toxicology},
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pages = {105--119},
issn = {0300-483X},
doi = {10.1016/j.tox.2005.08.019},
urldate = {2024-08-13},
keywords = {Multiple linear regression (MLR),Quantitative structure-activity relationship (QSAR),Radical basis function neural network (RBF),Support vector machine (SVM),Toxicity},
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title = {Prediction of Physicochemical Properties Based on Neural Network Modelling},
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keywords = {Aqueous solubility,Boiling point,Drug design,Drug development,Flash point,Octanol-water partition coefficient,Quantitative structure-property relationships,Vapour pressure},
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title = {Vapor-{{Liquid Equilibria Using Unifac}}: {{A Group-Contribution Method}}},
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year = {2012},
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publisher = {Elsevier},
googlebooks = {L533XSo\_kM8C},
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langid = {english},
keywords = {Science / Chemistry / Industrial & Technical,Science / Mechanics / Fluids,Technology & Engineering / Chemical & Biochemical}
}
@article{chenSolubilityModelingNonrandom2004,
title = {Solubility {{Modeling}} with a {{Nonrandom Two-Liquid Segment Activity Coefficient Model}}},
author = {Chen, Chau-Chyun and Song, Yuhua},
year = {2004},
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title = {Bottled {{SAFT}}: {{A Web App Providing SAFT-$\gamma$ Mie Force Field Parameters}} for {{Thousands}} of {{Molecular Fluids}}},
shorttitle = {Bottled {{SAFT}}},
author = {Ervik, {\AA}smund and Mej{\'i}a, Andr{\'e}s and M{\"u}ller, Erich A.},
year = {2016},
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@article{fayaz-torshiziCoarseGrainedMolecularSimulation2022,
title = {Coarse-{{Grained Molecular Simulation}} of {{Polymers Supported}} by the {{Use}} of the {{SAFT- Mie Equation}} of {{State}}},
author = {{Fayaz-Torshizi}, Maziar and M{\"u}ller, Erich A.},
year = {2022},
journal = {Macromolecular Theory and Simulations},
volume = {31},
number = {1},
pages = {2100031},
issn = {1521-3919},
doi = {10.1002/mats.202100031},
urldate = {2024-08-13},
copyright = {{\copyright} 2021 The Authors. Macromolecular Theory and Simulations published by Wiley-VCH GmbH},
langid = {english},
keywords = {coarse-graining,equation of state,molecular dynamics,polymers,statistical associating fluid theory},
file = {C\:\\Users\\barna\\Zotero\\storage\\F5ZVPHDI\\Fayaz-Torshizi and Müller - 2022 - Coarse-Grained Molecular Simulation of Polymers Su.pdf;C\:\\Users\\barna\\Zotero\\storage\\XHRY9TM3\\mats.html}
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@article{haslamExpandingApplicationsSAFTg2020a,
title = {Expanding the {{Applications}} of the {{SAFT-$\gamma$ Mie Group-Contribution Equation}} of {{State}}: {{Prediction}} of {{Thermodynamic Properties}} and {{Phase Behavior}} of {{Mixtures}}},
shorttitle = {Expanding the {{Applications}} of the {{SAFT-$\gamma$ Mie Group-Contribution Equation}} of {{State}}},
author = {Haslam, Andrew J. and {Gonz{\'a}lez-P{\'e}rez}, Alfonso and Di Lecce, Silvia and Khalit, Siti H. and Perdomo, Felipe A. and Kournopoulos, Spiros and Kohns, Maximilian and Lindeboom, Tom and Wehbe, Malak and Febra, Sara and Jackson, George and Adjiman, Claire S. and Galindo, Amparo},
year = {2020},
month = dec,
journal = {J. Chem. Eng. Data},
volume = {65},
number = {12},
pages = {5862--5890},
publisher = {American Chemical Society},
issn = {0021-9568},
doi = {10.1021/acs.jced.0c00746},
urldate = {2024-08-13},
file = {C:\Users\barna\Zotero\storage\6C49E59U\Haslam et al. - 2020 - Expanding the Applications of the SAFT-γ Mie Group.pdf}
}
@article{dufalPredictionThermodynamicProperties2014,
title = {Prediction of {{Thermodynamic Properties}} and {{Phase Behavior}} of {{Fluids}} and {{Mixtures}} with the {{SAFT-$\gamma$ Mie Group-Contribution Equation}} of {{State}}},
author = {Dufal, Simon and Papaioannou, Vasileios and Sadeqzadeh, Majid and Pogiatzis, Thomas and Chremos, Alexandros and Adjiman, Claire S. and Jackson, George and Galindo, Amparo},
year = {2014},
month = oct,
journal = {J. Chem. Eng. Data},
volume = {59},
number = {10},
pages = {3272--3288},
publisher = {American Chemical Society},
issn = {0021-9568},
doi = {10.1021/je500248h},
urldate = {2024-08-13},
file = {C:\Users\barna\Zotero\storage\2T6QFZT6\Dufal et al. - 2014 - Prediction of Thermodynamic Properties and Phase B.pdf}
}
@article{nguyenhuynhApplicationGCSAFTEOS2008,
title = {Application of {{GC-SAFT EOS}} to Polar Systems Using a Segment Approach},
author = {NguyenHuynh, D. and Passarello, J. -P. and Tobaly, P. and {de Hemptinne}, J. -C.},
year = {2008},
month = mar,
journal = {Fluid Phase Equilibria},
volume = {264},
number = {1},
pages = {62--75},
issn = {0378-3812},
doi = {10.1016/j.fluid.2007.10.019},
urldate = {2024-08-13},
keywords = {1-Alkanols,Alkyl-benzene,Dipolar-quadrupolar,GC-SAFT,Multipolar chain,VLE},
file = {C:\Users\barna\Zotero\storage\5Z86UMZ2\S0378381207006838.html}
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@article{tamouzaApplicationBinaryMixtures2005,
title = {Application to Binary Mixtures of a Group Contribution {{SAFT EOS}} ({{GC-SAFT}})},
author = {Tamouza, Sofiane and Passarello, J. -Philippe and Tobaly, Pascal and {de Hemptinne}, J. -Charles},
year = {2005},
month = feb,
journal = {Fluid Phase Equilibria},
series = {{{PPEPPD}} 2004 {{Proceedings}}},
volume = {228--229},
pages = {409--419},
issn = {0378-3812},
doi = {10.1016/j.fluid.2004.10.003},
urldate = {2024-08-13},
keywords = {Binary mixtures,Equation of state,Group contribution,SAFT,Vapor-liquid equilibria},
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journal = {BBC News},
urldate = {2023-02-16},
chapter = {Science \& Environment},
langid = {british}
}
@misc{653bMaterialSelection,
title = {(653b) {{Material Selection}} and {{Design}} of {{Ionic Liquid-Based Extractive Distillation}} for {{Hydrofluorocarbons Separation}} | {{AIChE}}},
urldate = {2023-04-30},
howpublished = {https://www.aiche.org/academy/conferences/aiche-annual-meeting/2021/proceeding/paper/653b-material-selection-and-design-ionic-liquid-based-extractive-distillation-hydrofluorocarbons}
}
@article{admalStressHeatFlux2011,
title = {Stress and Heat Flux for Arbitrary Multibody Potentials: {{A}} Unified Framework},
shorttitle = {Stress and Heat Flux for Arbitrary Multibody Potentials},
author = {Admal, Nikhil Chandra and Tadmor, E. B.},
year = {2011},
journal = {J. Chem. Phys.},
volume = {134},
number = {18},
pages = {184106},
issn = {0021-9606, 1089-7690},
doi = {10.1063/1.3582905},
urldate = {2023-02-16},
langid = {english}
}
@article{admalStressHeatFlux2011a,
title = {Stress and Heat Flux for Arbitrary Multibody Potentials: {{A}} Unified Framework},
shorttitle = {Stress and Heat Flux for Arbitrary Multibody Potentials},
author = {Admal, Nikhil Chandra and Tadmor, E. B.},
year = {2011},
journal = {J. Chem. Phys.},
volume = {134},
number = {18},
pages = {184106},
issn = {0021-9606, 1089-7690},
doi = {10.1063/1.3582905},