[Cdk-user] CDK III paper: software using CDK 1.4 or 1.5?

[Egon W. <ego...@gm...>]

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