Blind trials of computer-assisted structure elucidation software

Table 1 Ranges for the calculation times and structures generated across the challenges.

	Processing Time (min.)	Library Search Time (min.)^a	Generation Time (min.)^a	Structures Generated
Minimum	0 (Tabular)	1	1	1
Maximum	245	10	240	100000
Average	84	3	26	2639

^a The calculation was performed using desktop PCs operating at processor speeds of 200 MHz to 2 GHz. For example, structure calculations for version 6.0 were conducted on a Pentium III 1 GHz system equipped with 512 MB RAM and using the Microsoft Windows 2000 operating system.

ISSN: 1758-2946