Skip to main content
. Author manuscript; available in PMC: 2018 Apr 24.
Published in final edited form as: J Chem Inf Model. 2017 Apr 11;57(4):942–957. doi: 10.1021/acs.jcim.6b00740

Figure 7.

Figure 7

Inter-target cross-validated ROC curve of CNN scoring method compared to Autodock Vina on the CSAR pose prediction dataset. The CNN performs better at classifying generated poses as low or high RMSD across targets.