Classification and analysis of 21 million commercially available compounds

presentation · 5 years ago
by Ian Berry, Bob Marmon (Evotec)
JChem Cartridge Standardizer Naming
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