www.3d-qsar.com: a web portal that brings 3-D QSAR to all electronic devices—the Py-CoMFA web application as tool to build models from pre-aligned datasets
Comparative molecular field analysis (CoMFA), introduced in 1988, was the first 3-D QSAR method ever published and sold. Since then thousands of application, articles and citation have proved 3-D QSAR as a valuable method to be used in drug design. Several other 3-D QSAR methods have appeared, but still CoMFA remains the most used and cited. Nevertheless from a survey on the Certara® web site it seems that CoMFA is no more available. Herein is presented a python implementation of the CoMFA (Py-CoMFA).