Dear Egon, the SMARTS are user-definable, meaning that you can filter molecules containing the SMARTS pattern that you have defined yourself in the parameter sieve file. For more details, please visit http://www.silicos.be/sieve.html from where you can downloaded the Sieve manual.
Kind regards, Hans Silicos NV On Aug 4, 2010, at 11:06 , Egon Willighagen wrote: > Dear Gert, > > On Wed, Aug 4, 2010 at 10:00 AM, Gert Thijs <[email protected]> > wrote: >> Silicos is pleased to announce the release of version 3 of its >> molecular filtering software Sieve. > > Thank you for another contribution to the community! > >> • Selection criteria by means of smarts patterns; > > Can you provide some more details on these SMARTS patters? How were > they selected? What (bio)chemical/physical properties to they > correlate with? > > Would other toolkits be allowed to use those SMARTS too, without the > GPL copylefting? In particular, would the CDK be able to use those > SMARTS in the LGPL-licensed data? > > Egon > > -- > Post-doc @ Uppsala University > Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg > Homepage: http://egonw.github.com/ > Blog: http://chem-bla-ics.blogspot.com/ > PubList: http://www.citeulike.org/user/egonw/tag/papers > > ------------------------------------------------------------------------------ > The Palm PDK Hot Apps Program offers developers who use the > Plug-In Development Kit to bring their C/C++ apps to Palm for a share > of $1 Million in cash or HP Products. Visit us here for more details: > http://p.sf.net/sfu/dev2dev-palm > _______________________________________________ > Blueobelisk-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss ------------------------------------------------------------------------------ The Palm PDK Hot Apps Program offers developers who use the Plug-In Development Kit to bring their C/C++ apps to Palm for a share of $1 Million in cash or HP Products. Visit us here for more details: http://p.sf.net/sfu/dev2dev-palm _______________________________________________ Blueobelisk-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
