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. Author manuscript; available in PMC: 2021 Apr 29.
Published in final edited form as: Phys Chem Chem Phys. 2020 Apr 29;22(16):8373–8390. doi: 10.1039/d0cp00305k

Table 13:

The quantitative summary of the S1322 and PDBbind v2016 data sets.

S1322 set PDBBind v2016 refined set
CL1 CL2 CL3 CL4 CL5 CL6 CL7 refined set training set core set (test set)
333 264 219 156 134 122 94 4057 3767 290