Statistically acceptable 3D-QSAR models were effortlessly obtained, by application of automatic template CoMFA, for the vast majority, arguably more than 95%, of 116 biological targets. Among these ta
Robust and reliable QSAR models were developed to predict half-maximal inhibitory concentration (IC 50 ) values of hepatitis C virus NS3/4A protease inhibitors from the Monte Carlo technique.
In the pharmaceutical industry it is common to generate many QSAR models from training sets containing a large number of molecules and a large number of descriptors. The best QSAR methods are those th
