Journal of Cheminformatics

Table 4 Comparison of varying width w in chemical graphs (II)

From: Efficient enumeration of monocyclic chemical graphs with given path frequencies

Entry				2-Phase Algorithm			Our Algorithm
Formula	n	w	K	Tree	Time	Time/graph	Tree	Cycle	Time	Time/graph	Ratio
		1	3	14	0.009	643.9E-6	14	5	0.014	736.8E-6	1.1
		2	3	49	0.009	183.7E-6	49	14	0.017	269.8E-6	1.5
D08040		3	3	58	0.009	155.2E-6	58	21	0.017	215.1E-6	1.4
C₅H₉N₃	8	4	3	60	0.009	150.0E-6	60	25	0.017	200.0E-6	1.3
		5	3	60	0.009	150.0E-6	60	26	0.017	197.6E-6	1.3
		50	3	61	0.003	49.2E-6	61	28	0.017	191.0E-6	3.9
		1	3	30	0.017	566.7E-6	30	1,318	0.170	126.1E-6	0.2
		2	3	313	0.024	76.7E-6	313	8,822	0.266	29.1E-6	0.4
D00332		3	3	1,327	0.024	76.7E-6	1,327	18,010	0.285	14.7E-6	0.8
C₉H17NO₂	12	4	3	2,239	0.025	11.2E-6	2,239	24,550	0.293	10.9E-6	1.0
		5	3	4,197	0.025	6.0E-6	4,197	30,122	0.297	8.7E-6	1.5
		50	3	6,656	0.025	3.8E-6	6,656	34,145	0.309	7.6E-6	2.0
		1	3	4,590	4.115	896.5E-6	4,590	6,511	70.806	6.4E-3	3.8
		2	3	76,901	10.466	136.1E-6	76,901	186,971	221.353	838.7E-6	6.2
D00555		3	3	221,492	14.952	67.5E-6	221,492	770,625	317.488	320.0E-6	4.7
C₁₁H₁₈N2O₃	16	4	3	348,335	16.381	47.0E-3	348,335	1,307,167	347.379	209.8E-6	4.5
		5	3	458,635	16.837	36.7E-3	458,635	1,976,544	357.252	146.7E-6	4.0
		50	3	556,272	17.090	30.7E-3	556,272	3,544,713	363.743	88.7E-6	2.9
		1	3	≥1,134,806	T.O.	1.6E-3	≥21,048	≥0	T.O.	85.5E-3	53.4
		2	3	≥3,917,059	T.O.	459.5E-6	≥0	≥0	T.O.	–	–
D00079		3	3	≥86,360	T.O.	20.8E-3	≥28,187	≥0	T.O.	64.6E-3	3.1
C₂₀H₃₂O₅	25	4	3	≥1,469,428	T.O.	1.2E-3	≥61,929	≥229	T.O.	29.0E-3	24.2
		5	3	≥5,118,134	T.O.	351.7E-6	≥19,900	≥1,726	T.O.	83.2E-3	236.6
		50	3	≥216,008,008	T.O.	8.3E-6	≥0	≥0	T.O.	–	–

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