Hello, Just informing you that "QsarDB Repository" is also using CDK software:
1. Full name: QsarDB Repository 2. Described in the following publications: http://dx.doi.org/10.1186/s13321-015-0082-6 http://dx.doi.org/10.1186/1758-2946-6-25 3. Versions: 1.5.x and CDK 1.4.x 4. Web site: http://qsardb.org/ Best regards, Sulev -- Dr. Sulev Sild e-mail: [email protected] Institute of Chemistry, University of Tartu phone: (+372) 7375-183 Ravila 14a, Tartu, Estonia, 50411 fax: (+372) 7375-264 On Aug 11, Egon Willighagen wrote: > Hi all, > > I am finishing up a third CDK paper, which you can find the LaTeX > source at [0]. The current draft PDF is attached. The introduction > section lists a number of tools that are based on the CDK library, and > currently reads something like: > > "For example, > new tools expose CDK functionality, such as Cinfony [4], rcdk [5], and > workflow plu- > gins for Taverna [6] and KNIME [7]. Furthermore, projects with > specific functional- > ity have emerged building on the CDK, including jCompoundMapper [8], Scaffold- > Hunter [9], OMG [10], Padel [11], AMBIT-SMARTS [12], AMBIT-Tautomer [13], > and SMSD [14, 15]. Other tools used previous versions already, and follow > newer > releases of the CDK, such as Bioclipse [16, 17] and AMBIT [18]. While the > above > tools suggest that the CDK is primarily used to create general tools, > it is important > to note that it is also used to solve specific questions, like finding > the maximally > bridging rings in chemical structures [19]." > > I am keep on learning from more tools that have seen releases of > CDK-based software in the last 2-3 years, using CDK 1.4 or better the > 1.5 series. Please let me know if your software is not listed yet and > you like it to be listed. If so, please send me a reply to this > mailing list with the following information: > > 1. the full name of the software > 2. a publication where the software is described (DOI) > 3. which CDK version it is using > 4. (preferably) a website about the software > > (If there is no publication yet, I will not cite it in the paper, but > you are still strongly encouraged to mention it on the cdk-user@ > mailing list!) > > Egon > > 0.https://github.com/cdk/cdk-paper-3 > > > PS. Of course, if you like support with upgrading your software to CDK > 1.5 (highly recommended, see the contents of the paper draft), we will > be happy to help. > > -- > 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 > ------------------------------------------------------------------------------ > What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic > patterns at an interface-level. Reveals which users, apps, and protocols are > consuming the most bandwidth. Provides multi-vendor support for NetFlow, > J-Flow, sFlow and other flows. Make informed decisions using capacity > planning reports. http://sdm.link/zohodev2dev > _______________________________________________ > Cdk-user mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/cdk-user ------------------------------------------------------------------------------ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
