From: Egon W. <e.w...@sc...> - 2006-04-23 09:41:16
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On Friday 21 April 2006 15:06, Noel O'Boyle wrote: > Sorry for the crossposting, but some of you may be interested in looking > at http://www.redbrick.dcu.ie/~noel/parseSD.html where I compare the > performance of frowns, CDK and OB, in calculating the molecular weights > of all of the molecules in a 100K molecule SD file. This would be a very nice CDK News article? Can I interest you in submitting it? Egon -- e.w...@sc... Cologne University Bioinformatics Center (CUBIC) Blog: http://chem-bla-ics.blogspot.com/ GPG: 1024D/D6336BA6 |