Quantitative structure-property relationships (QSPR) modeling stability constants were determined for 30 coordination compounds (aqua and ethylenediamine complexes of Fe, Ni, Cu, Zn, Co, Ag, and Cd) by optimization of correlation weights of the local graph invariants. The training set involved 20 compounds and the test set involved 10 compounds. Statistical parameters of the best fit are n = 20, R = 0.9904, 5 = 0.44, and F = 923 for the training set and n = 10, R = 0.9906, 5 = 1.14, and F = 418 for the test set.
|Number of pages||3|
|Journal||Russian Journal of Inorganic Chemistry|
|Publication status||Published - Jul 2000|
ASJC Scopus subject areas
- Inorganic Chemistry