Abstract
The quantitative structure–property relationships (QSPR) have been developed for the stability constants of complexes between 63 different organic ligands and 14 lanthanides. The QSPR models for a series involving a single metal were constructed using only theoretical descriptors for ligands within the CODESSA program. The QSPR models for the series of constants with constant ligand were constructed using various physical properties of metals as descriptors. A good quality of models (47 of the 63 models for ligands gave R 2 higher than 0.90 and only 6 had R 2<0.80 and 10 of the 14 models for metals gave R 2 higher than 0.87 and no model had R 2<0.84) enables reliable prediction of stability constants for any previously unmeasured complex.
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