VALSTAT: Validation program for quantitative structure activity relationship studies
Ankit Gupta, Marianesan Arockia Babu, Satish Gopalrao Kaskhedikar · Indian Journal of Pharmaceutical Sciences · 2004
VALSTAT program has been developed using C++ in order to perform quantitative structure activity relationship analysis using stepwise multiple regression analysis. It is attempted to design and write program to select the better model for regression analysis and various quantitative structure activity relationship analysis validation methods such as cross-validation, boot strapping, randomization test, outliers, which are not available in the PC-based quantitative structure activity relationship analysis softwares. The program reproducibility and accuracy was validated using few reported series of cyclooxygenase-2 inhibitors.