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A novel QSPR model for predictingθ(lower critical solution temperature) in polymer solutions using molecular descriptors

✍ Scribed by Georgia Melagraki; Antreas Afantitis; Haralambos Sarimveis; Panayiotis A. Koutentis; John Markopoulos; Olga Igglessi-Markopoulou

Book ID: 106239722
Publisher: Springer-Verlag
Year: 2006
Tongue: English
Weight: 170 KB
Volume: 13
Category: Article
ISSN: 1610-2940
DOI: 10.1007/s00894-006-0125-z

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Accurate Prediction of θ (Lower Critical

Accurate Prediction of θ (Lower Critical Solution Temperature) in Polymer Solutions Based on 3D Descriptors and Artificial Neural Networks

✍ Jie Xu; Biao Chen; Hao Liang 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 162 KB

## Abstract Quantitative structure‐property relationships were studied between descriptors representing the three‐dimensional structures of molecules and __θ__ (LCST, lower critical solution temperature) in polymer solutions with a database of 169 data containing 12 polymers and 67 solvents. Feed‐f