Skip to main content
. Author manuscript; available in PMC: 2015 Apr 1.
Published in final edited form as: J Mol Graph Model. 2014 Jan 20;49:38–46. doi: 10.1016/j.jmgm.2014.01.004

Fig 1.

Fig 1

Chemical structures and the names of the training set compounds. Please refer to Table 1 for the IUPAC name and Pubchem ID. For convenience, the atom/ring numbering that is referred to in this study is shown using quercetin as a template (last compound).