[Joelib-help] QSAR challenge and two new 'Graph Mining' papers

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

1. The QSAR&Modeling society will start a mining challenge, any volunteers
for
http://www.coepra.org/index.html 
http://www.ndsu.nodak.edu/qsar_soc/index.htm 

2. Two JOELib mining 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>

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

2.2. 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 = {we...@us... <mailto:we...@us...>},
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 = {we...@us... <mailto:we...@us...>},
url ={ <http://dx.doi.org/10.1002/qsar.200510009> }
}