|
From: Egon W. <ego...@gm...> - 2016-03-09 13:25:09
|
On Tue, Mar 8, 2016 at 7:29 PM, John M <joh...@gm...> wrote: > Variable 2. What cycles (rings) do we test for 4n+2. Indeed! It's particularly this one that gave the most trouble in the CDK in the past, because it never said much beyond this rule... so, what about azulene? how many fused rings to take into account? and then only the smallest rings? The electron counting was the easy part... Egon -- E.L. Willighagen Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ORCID: 0000-0001-7542-0286 ImpactStory: https://impactstory.org/EgonWillighagen |