Peter, On 9/27/07, Peter Ertl <[EMAIL PROTECTED]> wrote: > Let's start a separate discussion group (under the BO hood). SMILES is an > excellent structure encoding, but would be even better if some missing > features (like organometallics, atropoisomerism) are included. I have > already some ideas about this and I am looking forward for an interesting > discussion.
My first impression was that a new specification was going to be designed, modeled after the SMILES specification, possibly including features of MQL. But, the current goal seems to be more aimed at cleaning up the original SMILES specification. Clearly, there is interest in making a follow up on SMILES too, increasing the scope of the SMILES specification. Egon -- ---- http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2005. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Blueobelisk-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
