“…The observations (independent variables) were the tetrazolium salts and the parameters of equation (2), equation (3) with the calculated physico-chemical values for each sample were the variables of following calculation. The physico-chemical parameters included in the calculation were: polarizability (P') [41], refractivity (ρ) [42,43], 10 base logarithm of the lipophilhydrophil character (log π) [43,44], Van der Waals surface (VdW surface ) [45][46][47][48], Van der Waals volume (VdW volume ) [47], water accessible surface (WA surface ) [45][46][47][48], water accessible volume (WA volume ) [47], total energy (E total ), binding energy (E binding ), heat formation (Q f ), energy of the higher occupied molecular orbit (eV HOMO ), energy of the lower unoccupied molecular orbit (eV LUMO ), minimum charge of the atoms (δ min ), maximum charge of the atoms (δ max ) and dipole moment (ξ). These parameters were computed by HyperChem 5.01 with ChemPlus Extension (Hypercube, Waterloo, Canada).…”