Hi Nikolas,
Hi all,
i've added the untested Molecule-Weka interfaces to JOELib and
have modified the Matrix class as suggested by Nikolas.
Good work, thanks !
I've added a non-complete API documentation to MoleculesDescriptorMatrix.
Nikolas, if you can find time (no hurry) can you please add analogue
docu to:
MoleculeCache-interface and
MolInstancesCache-class
Please use the actual CVS versions or i can send you the actual versions
via e-mail.
Nikolas, if you like, you can join the developer mailing lists:
http://sourceforge.net/projects/qsar/ (see lists)
http://lists.sourceforge.net/lists/listinfo/joelib-devel
Here is the full changelog:
- joelib.algo.datamining.weka.*
Weka specific Instances with molecular data. The first step to general
similarity/dissimilarity metrics for the already introduced
joelib.math.similarity interfaces.
- joelib.desc.data.*
Introduced MoleculeCache interface to store data.
- joelib.util.MDMatrixCache renamed to MoleculeDataCacheHolder
Molecule data holder for matrices AND Weka-Molecule-instances.
- Corrected usage of kekulization for MDL SD export and visualization
using JOEMol.kekulize()
- Slightly updated DocBook-tutorial (Web-version).
Kind regards, Joerg
P.S. Nikolas: The Smoothed AP was not published now, so i've commented
the LOC which caused a compiler error.
--
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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