Stability prediction of copper(II) complexes with peptides containing cysteinic disulfide bridge by models based on the connectivity index 3χv
Ante Miličević, N. Raos · Journal of Coordination Chemistry · 2014
The article is a continuation of our work on the modeling of the stability of complex compounds. For copper(II) complexes with five protonated and deprotonated cyclic oligopeptides containing a disulfide bridge, we developed two common models. The variables used in both models are valence molecular connectivity index of the third order, 3χv, and indicator variable(s), In or In1 and In2. The model with In1 and In2 (they represent the number of terminal and non-terminal glycine residues, respectively) yielded better estimates (S.E.cv = 0.51) than the model with In (= In1 + In2); S.E.cv = 0.60.