From: sushil r. <ron...@gm...> - 2007-03-17 12:04:07
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hi, I want to develop MQL plugin for CDK. Which will enable us to implement perception of different chemical environment, we may add pharmacophore and combinatorial library design utility in CDK after that. More information about the MQL can be found here<http://gecco.org.chemie.uni-frankfurt.de/mql/index.html> I will like to here form you in this regard. |
From: Rajarshi G. <rg...@in...> - 2007-03-17 13:35:22
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On Sat, 2007-03-17 at 17:34 +0530, sushil ronghe wrote: > hi, > I want to develop MQL plugin for CDK. > Which will enable us to implement perception of different chemical > environment, > we may add pharmacophore and combinatorial library design utility in > CDK after that. > > More information about the MQL can be found here Doesn't the MQL already interface with the CDK? (At least their API docs seem to indicate that it does) ------------------------------------------------------------------- Rajarshi Guha <rg...@in...> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- Q: What do you get when you put a spinning flywheel in a casket and turn a corner? A: A funeral precession. |
From: Egon W. <e.w...@sc...> - 2007-03-17 14:08:30
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On Saturday 17 March 2007, Rajarshi Guha wrote: > On Sat, 2007-03-17 at 17:34 +0530, sushil ronghe wrote: > > I want to develop MQL plugin for CDK. > > Which will enable us to implement perception of different chemical > > environment, > > we may add pharmacophore and combinatorial library design utility in > > CDK after that. > > > > More information about the MQL can be found here > > Doesn't the MQL already interface with the CDK? (At least their API docs > seem to indicate that it does) I think I read somewhere that the license was GPL but cannot find that statement anymore. The article mentions "an implementation in the programming language Java for noncommercial use." [1], though the API docs report a more liberal license [2]. The first would mean that we cannot use it in our CDK library (LGPL). Another thing is, is that the MQL reference implementation is using a custom isomorphism checker, and it would be interesting to see how it compares to an implementation using our UniversalIsomorphismTester. Moreover, the author's version is still not up for download. at [2] Ewgenij, what is the status of the download of the MQL implementation at [2]? What license will it have? Egon 1.http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci600305h 2.http://gecco.org.chemie.uni-frankfurt.de/mql/index.html -- e.w...@sc... Cologne University Bioinformatics Center (CUBIC) Blog: http://chem-bla-ics.blogspot.com/ GPG: 1024D/D6336BA6 |
From: <ten...@gm...> - 2007-03-18 07:55:13
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Hi, as I understood it, everything is ready to include in the cdk, a year ago they told, that they would like to wait for the publication before integrating in cdk - publication is out... They also used an own molecule representation for performace reasons. However the earlier a MQL implementation is in the CDK - the better is for CDK. best regards Christian -------- Original-Nachricht -------- Datum: Sat, 17 Mar 2007 15:08:22 +0100 Von: Egon Willighagen <e.w...@sc...> An: cdk...@li... CC: pro...@bi... Betreff: Re: [Cdk-devel] MQL plugin for CDK > On Saturday 17 March 2007, Rajarshi Guha wrote: > > On Sat, 2007-03-17 at 17:34 +0530, sushil ronghe wrote: > > > I want to develop MQL plugin for CDK. > > > Which will enable us to implement perception of different chemical > > > environment, > > > we may add pharmacophore and combinatorial library design utility in > > > CDK after that. > > > > > > More information about the MQL can be found here > > > > Doesn't the MQL already interface with the CDK? (At least their API docs > > seem to indicate that it does) > > I think I read somewhere that the license was GPL but cannot find that > statement anymore. The article mentions "an implementation in the > programming > language Java for noncommercial use." [1], though the API docs report a > more > liberal license [2]. The first would mean that we cannot use it in our CDK > library (LGPL). > > Another thing is, is that the MQL reference implementation is using a > custom > isomorphism checker, and it would be interesting to see how it compares to > an > implementation using our UniversalIsomorphismTester. > > Moreover, the author's version is still not up for download. at [2] > > Ewgenij, what is the status of the download of the MQL implementation at > [2]? > What license will it have? > > Egon > > 1.http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci600305h > 2.http://gecco.org.chemie.uni-frankfurt.de/mql/index.html > > -- > e.w...@sc... > Cologne University Bioinformatics Center (CUBIC) > Blog: http://chem-bla-ics.blogspot.com/ > GPG: 1024D/D6336BA6 > > ------------------------------------------------------------------------- > Take Surveys. Earn Cash. Influence the Future of IT > Join SourceForge.net's Techsay panel and you'll get the chance to share > your > opinions on IT & business topics through brief surveys-and earn cash > http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV > _______________________________________________ > Cdk-devel mailing list > Cdk...@li... > https://lists.sourceforge.net/lists/listinfo/cdk-devel -- "Feel free" - 10 GB Mailbox, 100 FreeSMS/Monat ... Jetzt GMX TopMail testen: www.gmx.net/de/go/mailfooter/topmail-out |