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Table 3 Influence of sphere excluded molecules for targets with 1000 or more confirmed inactives

From: Target prediction utilising negative bioactivity data covering large chemical space

Uniprot Precision Recall SE Precision SE Recall ∆Precision ∆Recall
O75116 0.006 0.960 0.012 0.960 0.006 0.000
P00374 0.187 0.982 0.520 0.968 0.333 −0.014
P00797 0.174 1.000 0.297 0.982 0.124 −0.018
P08172 0.091 0.912 0.307 0.829 0.216 −0.082
P08908 0.134 0.850 0.159 0.833 0.025 −0.017
P09237 0.013 0.991 0.046 0.981 0.033 −0.009
P11511 0.096 0.970 0.358 0.975 0.261 0.004
P25024 0.750 0.414 0.750 0.414 0.000 0.000
P28221 0.220 0.849 0.251 0.847 0.031 −0.002
P28222 0.225 0.859 0.282 0.839 0.058 −0.020
P31645 0.010 1.000 0.153 0.914 0.143 −0.086
P34913 0.146 0.980 0.191 0.975 0.045 −0.005
P34972 0.048 0.931 0.366 0.813 0.318 −0.117
P34995 0.026 0.935 0.232 0.761 0.206 −0.174
P41146 0.086 0.971 0.210 0.953 0.125 −0.018
P43115 0.090 0.743 0.700 0.700 0.610 −0.043
Q14833 0.004 0.500 0.000 0.000 −0.004 −0.500
Q15722 0.180 0.923 0.362 0.836 0.181 −0.086
Q99572 0.081 0.627 0.142 0.591 0.061 −0.036
Q99705 0.087 0.969 0.306 0.881 0.218 −0.089
  1. Sphere Excluded molecules improves precision of the models at the cost of recall