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. 2012 Nov 23;6:139. doi: 10.1186/1752-153X-6-139

Table 5.

Virtual screening performance of support vector machines for identifying Src inhibitors from large compound libraries

Inhibitors in training set Number of inhibitors
1703
Number of chemical families covered by inhibitors 493
Inhibitors in Testing Set
Number of Inhibitors
44
Number of Chemical Families Covered by Inhibitors
35
Percent of Inhibitors in Chemical Families Covered by Inhibitors in Training Set
51.43%
Virtual Screening Performance
Yield
70.45%
Number and Percent of Identified True Inhibitors Outside Training Chemical Families
15 (34.1%)
Number and Percent of 13.56M PubChemCompounds Identified as Inhibitors
44,843 (0.33%)
Number and Percent of the 168K MDDR Compounds Identified as Inhibitors
1,496 (0.89%)
  Number and Percent of the 9,305 MDDR Compounds Similar to the Known Inhibitors Identified as Inhibitors 719 (7.73%)