Multidimensional Consensus QSAR: A Step towards Integrating CoMFA, CoMSIA with Traditional QSAR Methodologies (Supplementary Data)

A consensus QSAR combining traditional 2D-QSAR with CoMFA and CoMSIA was developed for N, N'- bis substituted guanidines reported with NMDA receptor ion channel blocker activity. Two new statistics r²wμp (leverage weighted mean r²pred) and r²μp (mean r²pred) were defined. A slight improvement in predictive ability was observed for all the combinations while using r²wμp (0.630, 0.691, 0.672) rather than r²μp (0.622, 0.644, 0.658) however the approach has to be validated using more datasets.