Skip to main content
. Author manuscript; available in PMC: 2022 Mar 8.
Published in final edited form as: J Chem Inf Model. 2020 Sep 10;60(9):4200–4215. doi: 10.1021/acs.jcim.0c00411

Figure 5:

Figure 5:

Performance when utilizing different train/test splits. Models were either trained on PDBbind General and tested on PDBbind Core (Core) or trained with clustered cross-validation splits of the PDBbind General. Note the same data is in both sets, but is divided differently among train and test.