chapter  Chapter 2
11 Pages

Bondonic Topo-Reactivity

WithMihai V. Putz

The bondonic topo-reactivity is referring to a molecular characterization method based on combining reactivity indices and adjacency matrix to which the value of bondonic contribution is added in the calculation formula. The bondonic particle is present on the wave functions, on the covalent bonds, in dispersive–weak interactions, on the mechanism of action between ligand and receptor, and even on the ionic interactions. Through the bondonic interpretation, the molecule is not an electronic distribution on levels, but it represents an interaction between electrons and an interaction between levels. In other words, the bonding-antibonding mechanism determines a continuous movement of the molecule. The correlation between the lipophilicity values collected from previous work and bondonic-topo-reactivity indices were obtained next using the Pearson correlation factor. All possible paths which connect the correlation were considered, and their Euclidian lengths were computed.