On Tue, May 31, 2011 at 9:40 PM, Dmitry Katsubo <dmitry.kats...@gmail.com> wrote: > On the other hand InChI at the moment do not support mixtures, at least > I am not aware of any InChI, that encodes 2 molecules in one string.
Salts? http://wwmm.ch.cam.ac.uk/inchifaq/#How does InChI represent salts? Egon -- Dr E.L. Willighagen Postdoctoral Researcher Institutet för miljömedicin Karolinska Institutet (http://ki.se/imm) 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 ------------------------------------------------------------------------------ Simplify data backup and recovery for your virtual environment with vRanger. Installation's a snap, and flexible recovery options mean your data is safe, secure and there when you need it. Data protection magic? Nope - It's vRanger. Get your free trial download today. http://p.sf.net/sfu/quest-sfdev2dev _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
