Fig. 5
Comparison of the run times of surge v1.0 vs MOLGEN 5.0 for long-running molecular formulae from selected natural products, plotted on a logarithmic time scale. In the majority of cases, MOLGEN terminated at a built-in limit of 231–1 structures. Reported computation times were linearly extrapolated based on the MOLGEN timing for 231–1 structures and the actual number of isomers reported by surge