Hi Egon, US EPA's T.E.S.T also uses CDK libraries ( https://www.epa.gov/chemical-research/toxicity-estimation-software-tool-test#pubs), so you can add that one to your list too. I know Todd is working on a new web services version of T.E.S.T, but I am not sure when are they releasing the new version. I have copied this mail to him in case he wants to elaborate on anything or if he has a paper on T.E.S.T which can be a better citation than the website link.
Thanks, Jay Patel On Thu, Aug 11, 2016 at 3:50 AM, Egon Willighagen < [email protected]> 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-devel mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/cdk-devel > >
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