Fragmental descriptors in QSPR: flash point calculations.
| Autor: | N. I. Zhokhova, I. I. Baskin, V. A. Palyulin, A. N. Zefirov, N. S. Zefirov |
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| Zdroj: | Russian Chemical Bulletin; Sep2003, Vol. 52 Issue 9, p1885-1892, 8p |
| Abstrakt: | Flash points of various classes of organic compounds were first studied using the fragmental approach in the framework of QSPR methodology. Fragmental descriptor based regression and neural network models for flash point prediction are proposed. [ABSTRACT FROM AUTHOR] |
| Databáze: | Complementary Index |
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