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. 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 10:

Figure 10:

Ligand-only model performance. Def2018 models were trained with or without receptors (w/ Rec or w/out Rec) and evaluated on test sets with or without receptors (With Receptor or No Receptor).