| Autor: |
R. Katritzky, Alan, Petrukhin, Ruslan, Jain, Ritu, Karelson, Mati |
| Zdroj: |
Journal of Chemical Information and Modeling; November 2001, Vol. 41 Issue: 6 p1521-1530, 10p |
| Abstrakt: |
A quantitative structure property relationship study of the flash point of a diverse set of 271 compounds provided a general three-parameter QSPR model (R2 0.9020, R2cv 0.8985, s 16.1). Use of the experimental boiling point as a descriptor gives a three-descriptor equation with R2 0.9529. Use of the boiling point predicted by a four-parameter reported relationship gives a three-parameter flash point equation with a R2value of 0.9247. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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