Classification and analysis of 21 million commercially available compounds

May 2013 Author: , ()

We will discuss how we classified and calculated properties for over 21 million commercially available compounds using a variety of ChemAxon and in-house tools (and aggregated properties).  We will show a summary of the analysis of the data and show how we will use that to build better virtual screens.

Ian Berry & Bob Marmon (Evotec) – Classification and analysis of 21 million commercially available compounds