The corresponding squared cross-validated correlation coefficient ([R.sup.2.sub.CV]) for the selected model is calculated automatically by the validation module implemented in CODESSA software v 2.6 .
The leave-one-out validation method implemented in the CODESSA software gave the corresponding cross-validated correlation coefficients ([R.sup.2.sub.CV]) to all models.
HA can entirely search for a great quantity of molecular descriptors in software CODESSA and establish optimal linear regression equation .
Each molecule can be worked out to five hundred to six hundred descriptors by using CODESSA, including composition, topological, geometric, electrostatic, and quantum chemical descriptors.
Recent studies using MOPAC AM1 semiempirical quantum mechanical calculations and CODESSA
QSAR software yield excellent correlations of molecular descriptors to onset of cure and maximum rate of vulcanization (ref.
Even the Codessa
constitution-building sessions are being held behind closed doors."