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Table 3 Performance of kNN for identifying Src inhibitors and non-inhibitors evaluated by 5-fold cross validation study

From: Development and experimental test of support vector machines virtual screening method for searching Src inhibitors from large compound libraries

Cross - validation Src inhibitors Src non-inhibitors Q C
No of training/ testing inhibitors TP FN SE No of training/testing non-inhibitors TN FP SP
1 1362/341 302 39 88.56% 50654/12664 12635 29 99.77% 99.48% 0.896
2 1362/341 313 28 91.79% 50654/12664 12620 44 99.65% 99.45% 0.894
3 1362/341 311 30 91.20% 50654/12664 12610 54 99.57% 99.35% 0.878
4 1363/340 316 24 92.94% 50655/12663 12619 44 99.65% 99.48% 0.901
5 1363/340 302 38 88.82% 50655/12663 12632 31 99.76% 99.47% 0.895
Average     90.66%     99.68% 99.44% 0.893
SD     0.0191     0.0008 0.0005 0.0085
SE     0.0085     0.0004 0.0002 0.0038