[Joelib-help] AW: [QSAR-devel] Fwd: CDK News 3.1

[joerg.wegner <joe...@we...>]

Wow,

what an excellent report. I am really impressed ... marvellous work.

BTW, there is another very positive report highlighting the CDK. So, I =
am
really wondering if there is an actual 'hype' for that? Anyway its =
great!
After a long time of hard work it seems to be the case that our work is
recognized as valuable and competitive.
In my opinion there is absolutely no question about scientific value, =
since
we have all published a lot.

Maybe we should add an extra page to the Blue Obelisk. Publications with
Open Source.

Best, Joerg

@ARTICLE{ggwas06,=20
 author =3D {W. J. Geldenhuys and K. E. Gaasch and M. Watson and D. D. =
Allen
and=20
       C. J. Van der Schyf},=20
 title =3D {{O}ptimizing the use of open-source software applications in =
drug=20
       discovery.},=20
 journal =3D {Drug Discov. Today},=20
 year =3D {2006},=20
 volume =3D {11},=20
 pages =3D {127--132},=20
 number =3D {3-4},=20
 month =3D {Feb},=20
 abstract =3D {Drug discovery is a time consuming and costly process.
Recently, a=20
       trend towards the use of in silico computational chemistry and
molecular=20
       modeling for computer-aided drug design has gained significant
momentum.=20
       This review investigates the application of free and/or =
open-source=20
       software in the drug discovery process. Among the reviewed =
software=20
       programs are applications programmed in JAVA, Perl and Python, as =

       well as resources including software libraries. These programs =
might=20
       be useful for cheminformatics approaches to drug discovery, =
including

       QSAR studies, energy minimization and docking studies in drug =
design=20
       endeavors. Furthermore, this review explores options for =
integrating=20
       available computer modeling open-source software applications in=20
       drug discovery programs.},=20
 doi =3D {10.1016/S1359-6446(05)03692-5},=20
 pii =3D {S1359-6446(05)03692-5},=20
 pmid =3D {16533710},

> -----Urspr=FCngliche Nachricht-----
> Von: qsa...@li... [mailto:qsar-devel-
> ad...@li...] Im Auftrag von Egon Willighagen
> Gesendet: Samstag, 1. April 2006 10:02
> An: qsa...@li...
> Betreff: [QSAR-devel] Fwd: CDK News 3.1
>=20
>=20
> Hi QSAR community,
>=20
> please find below the announcement of the CDK News issue of March =
2006.
> There
> is a considerable part devoted to QSAR.
>=20
> Egon
>=20
> ----------  Forwarded Message  ----------
>=20
> Subject: CDK News 3.1
> Date: Friday 31 March 2006 22:52
> From: Egon Willighagen <e.w...@sc...>
> To: CDK <cdk...@li...>, =
cdk...@li...
>=20
> Hi all,
>=20
> please find online the new issue of CDK News.
>=20
> =
http://sf.net/project/showfiles.php?group_id=3D20024&package_id=3D124796
>=20
> The content:
>=20
> * Development Tools. 2. Java Documentation
> * iBabel
> * Validation of the CDK Surface Area Routine
> * Improving the CDK implementation of the XlogP Descriptor
> * A Protocol for Descriptor QA
> * QA of the XlogP Descriptor
> * An Applet Release of JChemPaint
>=20
> And the usual FAQ and Literature.
>=20
> Egon
>=20
> -------------------------------------------------------
>=20
> --
> e.w...@sc...
> PhD student on Molecular Representation in Chemometrics
> Radboud University Nijmegen
> Blog: http://chem-bla-ics.blogspot.com/
> http://www.cac.science.ru.nl/people/egonw/
> GPG: 1024D/D6336BA6
>=20
>=20
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