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Quantitative Structure−Property Relationship (QSPR) Prediction of Liquid Viscosities of Pure Organic Compounds Employing Random Forest Regression

✍ Scribed by Rajappan, Remya; Shingade, Prashant D.; Natarajan, Ramanathan; Jayaraman, Valadi K.


Book ID
118010089
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
380 KB
Volume
48
Category
Article
ISSN
0888-5885

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✍ Alan R. Katritzky; Ke Chen; Yilin Wang; Mati Karelson; Bono Lucic; Nenad Trinajs 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 69 KB 👁 2 views

The liquid viscosity of 361 organic compounds containing C, H, N, O, S and/or halogens was investigated using a quantitative structure-property relationship (QSPR) approach. A five-descriptor equation was obtained with a squared correlation coefficient (R 2 ) of 0.854 and a standard error (S) of 0.2