ABSTRACT:
An online system for complex structural investigations conducted on biologically active compounds were realized and it’s estimated (through correlation and determination coefficients obtained on studied sets, constant better than other methods) and predicted (through works using leave-one-out and training-vs-test methods) accuracy were proved. Correlated correlation analysis, applied on more than half of the studied cases, it shows that the obtained structure-activity models were significantly better than previous reported ones.
Are imposed making to one more step, the applying of the method in drug design field, having as support the combinatorial chemistry, and having as benefit major implications in health, environment and agriculture fields.
