Table 2.

Prediction on external validation sets.

Set	Set Size	In Bitter Domain	Pos	Neg	TP	FP	TN	FN	Sensitivity	Specificity
Bitter New	29	23	23		17			6	0.74
UNIMI set	56	56	23	33	18	5	28	5	0.78	0.85
Phyto. Dictionary	93	75	49	26	48	8	18	1	0.98	0.69

Pos- number of positive molecules in the set. Neg- number of negative molecules in the set. TP- number of positive (bitter) molecules correctly classified. FP- number of negative (non-bitter) molecules incorrectly classified. TN- number of negative (non-bitter) molecules correctly classified. FN- number of positive molecules (bitter) incorrectly classified. Sensitivity TP/(TP + FN). Specificity TN/(TN + FP).