Organometallic compounds are an important class of chemicals, because many of them have vital biochemical features. There are studies on the quantitative structure-property/activity relationships (QSPR/QSAR) for organic substances [1-5], but only a few articles have deal with QSPR for organometallic compounds Simplified molecular input line entry system (SMILES) [9-13] has been used as an alternative for molecular graphs in the QSPR/QSAR analyses SMILES-based optimal descriptors were calculated a