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. Author manuscript; available in PMC: 2017 Jun 27.
Published in final edited form as: J Chem Inf Model. 2015 Dec 30;56(6):1088–1099. doi: 10.1021/acs.jcim.5b00625

Table 8.

Pearson’s correlation coefficients between PL-PatchSurfer score and pIC50.

Protein-Ligand Dataset PL-PatchSurfer N.-Govindan et al. 47 Kumar et al.44 Yan et al.48 Hogues et al.45 Baumgartner et al.49 Martiny et al.46
FXa Set 1 −0.590 −0.26/−0.43 0.15/0.44/0.30/0.09 0.263/0.139 0.10/0.00/0.00/0.00 0.039
Set 2 −0.094 −0.16/−0.14 0.135 −0.11/0.08/0.14/0.19 0.088/0.057 0.35/0.30/0.44/0.36 0.077
Set 3 −0.139 −0.22/−0.16 −0.18/−0.24/−0.18/0.11 0.019/0.091 0.33/0.28/0.48/0.40 0.126
SYK −0.244 −0.38/−0.38 0.784 0.31/0.53/0.59/0.33 0.120/0.127 0.62/0.62/0.10/0.25 0.265
TRMD −0.671 −0.61/−0.56 0.179 0.82/0.25/0.24/0.65 0.514/0.058 0.69/0.75/0.73/0.82 0.591