Older News Items

Project News for JOELib/JOELib2

  • SVN Version Management is now available

    See Code -> SVN for details and setup

    2009-06-12 03:24:58 PDT by nhfechner

  • Wiki is online

    The JOELib Wiki is now online
    http://joelib.sourceforge.net/wiki/

    2006-03-09 14:01:27 PST by wegner

  • Algorithm dictionary published on the 'Blue Obelisk' site

    An algorithm and feature dictionary is now online available at http://wiki.cubic.uni-koeln.de/dokuwiki/doku.php?id=wiki:joelib_algorithmdictionary

    2006-02-25 02:56:53 PST by wegner

  • Open Source community paper with focus on Cheminformatics

    The Blue Obelisk Movement http://www.blueobelisk.org/

    Blog http://wiki.cubic.uni-koeln.de/planetbo/

    BibTex entry and link-out for this article
    @article{ghhmrsww06,
    author = {R. Guha and M.T. Howard and G.R. Hutchison and P. Murray--Rust and H. Rzepa and C. Steinbeck and J. Wegner and E. L. Willighagen},
    title = {{T}he {B}lue {O}belisk--{I}nteroperability in {C}hemical {I}nformatics},
    journal = {Journal of Chemical Information and Modeling},
    year = {2006},
    url = {http://dx.doi.org/10.1021/ci050400b}
    doi = {10.1021/ci050400b}
    }

    2006-02-22 13:36:39 PST by wegner

  • Graph Mining papers (Graph Kernel and Maximum Common Subst.)

    Two actual papers are published in the 'QSAR & Comb. Chem.' journal http://dx.doi.org/10.1002/qsar.200510135 and http://dx.doi.org/10.1002/qsar.200510009

    The Maximum Common Substructure (MCS) method works uses single atom properties, which can be also numeric.

    The Optimal Assignment (Graph) Kernel works on multiple chemical atom and bond labels and is an extremely fast chemical similarity measure. Due to the fact that it is a positive definite matrix, this measure can be used for any SVM based learning method, like classification, regression, and clustering.

    Here are the related BibTeX entries generated with JabRef http://jabref.sourceforge.net.
    ----

    @ARTICLE{fwz05c,
    author = {H. Fr{\"{o}}hlich and J. K. Wegner and A. Zell},
    title = {{K}ernel {F}unctions for {A}ttributed {M}olecular {G}raphs -- {A}
    {N}ew {S}imilarity {B}ased {A}pproach {T}o {ADME} {P}rediction in
    {C}lassification and {R}egression},
    journal = {QSAR Comb. Sci.},
    year = {2005},
    pages = {accepted},
    doi = {10.1002/qsar.200510135},
    owner = {wegner@...},
    url ={ http://dx.doi.org/10.1002/qsar.200510135 }
    }

    @ARTICLE{wfmz05,
    author = {J. K. Wegner and H. Fr{\"{o}}hlich and H. Mielenz and A. Zell},
    title = {{D}ata and {G}raph {M}ining in {C}hemical {S}pace for {ADME} and
    {A}ctivity {D}ata {S}ets},
    journal = {QSAR Comb. Sci.},
    year = {2005},
    pages = {accepted},
    doi = {10.1002/qsar.200510009},
    owner = {wegner@...},
    url ={ http://dx.doi.org/10.1002/qsar.200510009 }
    }


    2006-01-30 08:40:00 PST by wegner