Interactive Data Mining for Molecular Graphs

Table 4

Experimental results for the synthetic datasets (P refers to precision and R refers to recall).

Dataset number	Number of active molecules	Number of inactive molecules	Probability of noise [0-1]	Proposed method		gSpan		Gaston		MoFa		FFSM
				P	R	P	R	P	R	P	R	P	R
				1	10	10	0.0	1	1	1	1	1	1	1	1	1	1
2	10	10	0.25	1	1	1	0.33	1	0.28	1	0.21	1	0.19
3	10	10	0.5	1	1	1	0.12	1	0.11	1	0.08	1	0.06
4	10	10	1.0	1	0.91	0	0	0	0	0	0	0	0
5	50	50	0.0	1	1	1	1	1	1	1	1	1	1
6	50	50	1.0	1	0.94	0	0	0	0	0	0	0	0
7	100	100	0.0	1	1	1	1	1	1	1	1	1	1
8	100	100	1.0	1	0.95	0	0	1	0.05	0	0	0	0