MODELING THE SOLUBILITY AND ACTIVITY OF AMINO-ACIDS WITH THE LCCI METHOD

The linear combinations of connectivity indices method (LCCI) is here employed to model the water solubility and activity of 19 natural amin o acids. Starting with the molecular connectivity indices, reciprocal and supra molecular connectivity indices are designed to model the sol ubility and activity spaces of the natural amino acids. The reciprocal and supra molecular reciprocal connectivity indices have been obtaine d following the variability of the connectivity indices along solubili ty space of the natural amino acids. A linear combination of the recip rocals of the connectivity indices (LCRCI) showed a satisfactory model ling of the solubility and activity space while a model based on the L CRCI together with the introduction of supra reciprocal molecular conn ectivity indices for Pro, Ser and Arg achieved an optimal modelling of the solubility and activity space of the natural amino acids.