Hi, Scaffold Hunter also has a more recent Publication: *Visual Analysis of Biological Activity Data with Scaffold Hunter*
Regards, Till Am Donnerstag, 11. August 2016, 09:50:17 schrieb Egon Willighagen: > 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. > > -- Dipl.-Inf. Till Schäfer TU Dortmund University Chair 11 - Algorithm Engineering Otto-Hahn-Str. 14 / Room 237 44227 Dortmund, Germany e-mail: till.schae...@cs.tu-dortmund.de phone: +49(231)755-7706 fax: +49(231)755-7740 web: http://ls11-www.cs.uni-dortmund.de/staff/schaefer pgp: https://keyserver2.pgp.com/vkd/SubmitSearch.event?&&SearchCriteria=0xD84DED79
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