Surge: a fast open-source chemical graph generator

Table 2 Execution time (seconds) for selected MF of natural products on a compute-optimized c2-standard-4 Google cloud VM

Molecular formula	-p0:1		-P		-B5		-B9
Molecular formula	#Iso	Time	#Iso	Time	#Iso	Time	#Iso	Time
C₁₁H₁₉N₃O	58,175,540,999	3746	72,486,967,073	5046	69,648,876,936	4978	51,275,365,737	3048
C₁₁H₁₈N₂O₂	53,925,725,334	3648	67,177,819,545	4914	64,367,528,959	4838	47,278,714,772	2946
C₁₁H₁₅NO₃	64,661,412,269	4759	94,361,334,994	7682	89,131,725,467	7512	54,627,135,057	3595
C₉H₁₈N₂O₄	5,810,409,623	519	5,979,199,394	541	5,918,503,858	538	5,583,717,596	484
C₁₁H₁₂O₄	17,216,498,094	1894	30,438,650,047	4485	28,660,902,856	3777	14,044,693,099	1256
C₁₀H₁₆O₅	989,273,530	107	1,092,378,303	122	1,060,206,152	122	895,109,814	88
C₁₃H₂₀O₂	1,211,481,307	147	1,514,909,702	203	1,443,691,541	197	1,038,843,543	101
C₈H₁₁NO₆	12,795,251,232	1511	15,771,433,061	1953	15,035,794,185	1942	11,169,581,507	1217
C₉H₉NO₅	62,471,125,788	8244	109,135,601,623	16,008	102,826,808,386	15,645	51,607,646,947	6062
C₁₂H₁₃NO₂	177,274,446,997	13,639	382,246,449,331	34,476	381,333,513,411	34,285	147,423,365,942	9700

Surge was run with its options and instructed to generate but not to output structures

ISSN: 1758-2946