[Joelib-devel] Mining with OpenBabel/JOELib/CDK/WWMM

[Joerg K. W. <we...@in...>]

Hi all,
Hi Andreas,

@Andreas: Might you add the following links to a section at
http://cheminformatics.org/

Here is a success summary of Mining Chemical Data Tools, which uses 
JOELib, OpenBabel, CDK, and WWMM. Please post any other sources and 
services to the mailing lists:

-------
ChemMine is a compound mining database that facilitates drug and 
agrochemical discovery and chemical genomics screens:
http://bioinfo.ucr.edu/projects/PlantChemBase/search.php
-------
The lazar system is a substructure graph mining tool:
http://www.predictive-toxicology.org/lazar
-------
Compumine is an ILP association rule learner based on substructures (see 
also work of Helma/Kramer/Raedt at the predictive toxicology page):
http://www.compumine.se/adme/adme.jsp
-------
The University of Minnesota Biocatalysis/Biodegradation. Microbial 
biocatalytic reactions and biodegradation pathways primarily for 
xenobiotic, chemical compounds.
Databasehttp://umbbd.ahc.umn.edu/
-------
Similarity Matrix Calculator
http://blue.chem.psu.edu/~rajarshi/code/java/sim.html
-------
Online Similarity Search using MOLPRINT 2D Approach
http://cheminformatics.org/simsearch/
-------
World Wide Molecular Matrix Portal
http://wwmm.ch.cam.ac.uk/gridsphere/gridsphere

Kind regards, Joerg
-- 
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
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