From: Andrew D. <da...@da...> - 2011-06-07 07:05:36
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On Jun 5, 2011, at 9:01 PM, Egon Willighagen wrote: > Do they define in detail how to determine [ESSSR] for fused ring systems? Apparently the code is available somewhere on their web site. I haven't looked for it though. Ah-ha, found it! In a file dated from 2007 ftp://ftp.ncbi.nih.gov/pubchem/CACTVS/ncbisource.tgz It's probably related to CSaddESSSRRings . Andrew da...@da... |