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

Table 4 Performance of PNN for identifying Src inhibitors and non-inhibitors evaluated by 5-fold cross validation study

Cross - validation	Src inhibitors				Src non-inhibitors				Q	C
Cross - validation	No of training/ testing inhibitors	TP	FN	SE	No of training/testing non-inhibitors	TN	FP	SP	Q	C
1	1362/341	319	22	93.55%	50654/12664	12413	251	98.02%	97.90%	0.715
2	1362/341	324	17	95.01%	50654/12664	12380	284	97.76%	97.69%	0.702
3	1362/341	330	11	96.77%	50654/12664	12395	269	97.88%	97.85%	0.722
4	1363/340	330	10	97.06%	50655/12663	12389	274	97.84%	97.82%	0.720
5	1363/340	318	22	93.53%	50655/12663	12413	250	98.03%	97.91%	0.715
Average				95.19%				97.90%	97.83%	0.715
SD				0.0169				0.0012	0.0009	0.0075
SE				0.0076				0.0005	0.0004	0.0034

ISSN: 2661-801X