Dear developers,
dear community,
as already mentioned i've less time at the moment and i can only
guarantee to maintain JOELib as it should be maintained.
I will also submit new functionalities, like maximum common substructure
search in 2-3 months, then we have an extensively tested release.
Now my help request to all developers and all people which can advertise
our projects. Please bear in mind that i've plannded to end my PhD
thesis until the middle of 2005, so we need also other people which are
able to maintain JOELib, because my spare-time is restricted.
But i've no time for refactor-maintenance, which recommended for long
term time slides.
I'm really interested in a QSAR data mining tool based on Java.
http://joelib.sf.net
http://qsar.sf.net
http://octet.sourceforge.net/
http://cdk.sf.net
And as you know JOELib has already some
- descriptors and
- data mining tools (Weka interface and class structure containing
molecules)
- basic algorithms, like sub-optimal distance matrix with O(N^3)
- Labeling functions for molecular graphs as atom labels (atom properties)
- Labeling functions for molecular graphs as bond labels (bond properties)
I'm not sure if Rich and Egon have the same opinion, but from my
standpoint of view it is crucial important that this community helps us
to implement things.
We, the project administrators can assign tasks and help you understand
the actual packages, but we can not implement all things we need on our
own, as at the moment.
So, especially the JOELib project needs more developers and anybody
which is willingly to implement the basic Octet-JOELib interface as
starting point.
Example was already given at:
http://www-ra.informatik.uni-tuebingen.de/mitarb/wegner/tmp/octet/
The changes are found in CDKTools 0.2.1, which can be downloaded at:
http://sourceforge.net/project/showfiles.php?group_id=96108
Javadoc is at:
http://octet.sourceforge.net/api.html
What i like to see in the interface is an analogue structure as shown
here, especially with respect to the chemical expert systems (chemical
kernel) in JOELib:
The following ASAP articles were posted to the ACS Web Edition of
Journal of Chemical Information and Computer Sciences on June 17, 2004.
Title: Some Basic Data Structures and Algorithms for Chemical Generic
Programming
Authors: Wei Zhang, Tingjun Hou, Xuebin Qiao, and Xiaojie Xu
Link: http://dx.doi.org/10.1021/ci049938s
Kind regards, Joerg Kurt Wegner
--
Dipl. Chem. Joerg K. Wegner
Center of Bioinformatics Tuebingen (ZBIT)
Department of Computer Architecture
Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany
Phone: (+49/0) 7071 29 78970
Fax: (+49/0) 7071 29 5091
E-Mail: mailto:we...@in...
WWW: http://www-ra.informatik.uni-tuebingen.de
--
Never mistake motion for action.
(E. Hemingway)
Never mistake action for meaningful action.
(Hugo Kubinyi,2004)
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