<?xml version="1.0" encoding="utf-8"?><feed xmlns="http://www.w3.org/2005/Atom" ><generator uri="https://jekyllrb.com/" version="4.3.4">Jekyll</generator><link href="https://chem-bla-ics.linkedchemistry.info/feed/by_tag/bioinfo.xml" rel="self" type="application/atom+xml" /><link href="https://chem-bla-ics.linkedchemistry.info/" rel="alternate" type="text/html" /><updated>2026-04-19T09:50:36+00:00</updated><id>https://chem-bla-ics.linkedchemistry.info/feed/by_tag/bioinfo.xml</id><title type="html">chem-bla-ics</title><subtitle>Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.</subtitle><author><name>Egon Willighagen</name></author><entry><title type="html">s/BiGCaT/Translational Genomics/g</title><link href="https://chem-bla-ics.linkedchemistry.info/2025/01/27/translational-genomics.html" rel="alternate" type="text/html" title="s/BiGCaT/Translational Genomics/g" /><published>2025-01-27T00:00:00+00:00</published><updated>2025-01-27T00:00:00+00:00</updated><id>https://chem-bla-ics.linkedchemistry.info/2025/01/27/translational-genomics</id><content type="html" xml:base="https://chem-bla-ics.linkedchemistry.info/2025/01/27/translational-genomics.html"><![CDATA[<p>With a year of preparation and two years of thinking, on September 1st 2024 the
Department of Bioinformatics, aka BiGCaT, merged with two other departments to
form the <a href="https://www.maastrichtuniversity.nl/research/translational-genomics">Department of Translational Genomics</a>
(see also <a href="https://www.linkedin.com/feed/update/urn:li:activity:7289584128176336896?utm_source=share&amp;utm_medium=member_desktop">this LinkedIn announcement</a>).
This merger creates many new opportunities while it strenghtens our bioinformatics
research. In fact, I will have more room to focus on the chemical roles in our
<em>more accurate understanding of biological processes</em>. I am looking forward to
the upcoming years!</p>

<p><img src="/assets/images/translational_genomics.png" alt="" /></p>]]></content><author><name>Egon Willighagen</name></author><category term="bioinfo" /><summary type="html"><![CDATA[With a year of preparation and two years of thinking, on September 1st 2024 the Department of Bioinformatics, aka BiGCaT, merged with two other departments to form the Department of Translational Genomics (see also this LinkedIn announcement). This merger creates many new opportunities while it strenghtens our bioinformatics research. In fact, I will have more room to focus on the chemical roles in our more accurate understanding of biological processes. I am looking forward to the upcoming years!]]></summary><media:thumbnail xmlns:media="http://search.yahoo.com/mrss/" url="https://chem-bla-ics.linkedchemistry.info/assets/images/translational_genomics.png" /><media:content medium="image" url="https://chem-bla-ics.linkedchemistry.info/assets/images/translational_genomics.png" xmlns:media="http://search.yahoo.com/mrss/" /></entry><entry><title type="html">“LAST CALL: XEP-0244 (IO Data)”</title><link href="https://chem-bla-ics.linkedchemistry.info/2009/08/13/last-call-xep-0244-io-data.html" rel="alternate" type="text/html" title="“LAST CALL: XEP-0244 (IO Data)”" /><published>2009-08-13T00:00:00+00:00</published><updated>2009-08-13T00:00:00+00:00</updated><id>https://chem-bla-ics.linkedchemistry.info/2009/08/13/last-call-xep-0244-io-data</id><content type="html" xml:base="https://chem-bla-ics.linkedchemistry.info/2009/08/13/last-call-xep-0244-io-data.html"><![CDATA[<p>Today I received this email, which is a milestone for the <a href="http://en.wikipedia.org/wiki/Extensible_Messaging_and_Presence_Protocol">XMPP</a>
(aka Jabber) work Johannes, Ola and I have been working on as SOAP alternative using the intrinsically asynchronous XMPP as transport
protocol instead of HTTP as SOAP commonly does (see
<a href="https://chem-bla-ics.linkedchemistry.info/2008/10/31/next-generation-asynchronous.html">Next generation asynchronous webservices <i class="fa-solid fa-recycle fa-xs"></i></a>):</p>

<blockquote>
  <p>This message constitutes notice of a Last Call for comments on XEP-0244 (IO Data).</p>

  <p>Abstract: This specification defines an XMPP protocol extension for handling the input to and output from a remote entity.</p>

  <p>URL: <a href="https://www.xmpp.org/extensions/xep-0244.html">http://www.xmpp.org/extensions/xep-0244.html</a></p>

  <p>This Last Call begins today and shall end at the close of business on 2009-09-01.</p>

  <p>Please consider the following questions during this Last Call and send your feedback to the standards @ xmpp.org discussion list:</p>

  <ol>
    <li>Is this specification needed to fill gaps in the XMPP protocol stack or to clarify an existing protocol?</li>
    <li>Does the specification solve the problem stated in the introduction and requirements?</li>
    <li>Do you plan to implement this specification in your code? If not, why not?</li>
    <li>Do you have any security concerns related to this specification?</li>
    <li>Is the specification accurate and clearly written?</li>
  </ol>

  <p>Your feedback is appreciated!</p>
</blockquote>

<p>There remains quite a lot to do, and you are more than welcome to join in the project. There is a Java library and we’ve
integrated the specs into <a href="http://www.bioclipse.net/">Bioclipse</a> and <a href="http://taverna.sf.net/">Taverna</a> (see
<a href="https://chem-bla-ics.linkedchemistry.info/2009/01/21/details-behind-calling-xmpp-cloud.html">Details behind the “Calling XMPP cloud services from Taverna2” <i class="fa-solid fa-recycle fa-xs"></i></a>),
but there is no support for BioCatalogue yet, and no libraries for other programming language yet.</p>]]></content><author><name>Egon Willighagen</name></author><category term="xmpp" /><category term="bioinfo" /><category term="cheminf" /><summary type="html"><![CDATA[Today I received this email, which is a milestone for the XMPP (aka Jabber) work Johannes, Ola and I have been working on as SOAP alternative using the intrinsically asynchronous XMPP as transport protocol instead of HTTP as SOAP commonly does (see Next generation asynchronous webservices ):]]></summary></entry><entry><title type="html">Where’s the maize genome torrent?!?</title><link href="https://chem-bla-ics.linkedchemistry.info/2008/02/27/wheres-maize-genome-torrent.html" rel="alternate" type="text/html" title="Where’s the maize genome torrent?!?" /><published>2008-02-27T00:10:00+00:00</published><updated>2008-02-27T00:10:00+00:00</updated><id>https://chem-bla-ics.linkedchemistry.info/2008/02/27/wheres-maize-genome-torrent</id><content type="html" xml:base="https://chem-bla-ics.linkedchemistry.info/2008/02/27/wheres-maize-genome-torrent.html"><![CDATA[<p><a href="http://slashdot.org/">/.</a> just posted <a href="http://science.slashdot.org/science/08/02/26/1938210.shtml">a story about the maize genome</a>
just published, for which the sequences can be downloaded from <a href="http://ftp.maizesequence.org/20080107/">this FTP site</a>. The files
are not that large at all. But it makes me wonder… where are the <a href="http://en.wikipedia.org/wiki/BitTorrent_%28protocol%29">.torrent files</a>
for the sequenced genomes? Here’s <a href="http://politigenomics.blogspot.com/2008/02/your-people-call-it-corn.html">Davids catch</a> on the story.</p>

<p><strong>Update</strong>: <a href="http://www.openhelix.com/blog/?p=165">OpenHelix discusses the matching genome browser</a>, and indicates that
<a href="http://www.openhelix.com/blog/?p=182">hundreds of genomes</a> are actively being studied. The
<a href="http://appliedbioinformatics.wur.nl/index.php?option=com_frontpage&amp;Itemid=1">group where I work</a> recently
<a href="http://www.genomeweb.com/issues/news/143543-1.html">bought a 454</a> (reg needed, it seems) and participates in the race.
<a href="http://agro.biodiver.se/2008/02/nibbles-peas/">Nibbles links the cork event to square peas</a>…
but my biological background prohibits me to see that link…</p>]]></content><author><name>Egon Willighagen</name></author><category term="bioinfo" /><summary type="html"><![CDATA[/. just posted a story about the maize genome just published, for which the sequences can be downloaded from this FTP site. The files are not that large at all. But it makes me wonder… where are the .torrent files for the sequenced genomes? Here’s Davids catch on the story.]]></summary></entry><entry><title type="html">Open Source, Open Data at the European Bioinformatics Institute</title><link href="https://chem-bla-ics.linkedchemistry.info/2007/12/07/open-source-open-data-at-european.html" rel="alternate" type="text/html" title="Open Source, Open Data at the European Bioinformatics Institute" /><published>2007-12-07T00:00:00+00:00</published><updated>2007-12-07T00:00:00+00:00</updated><id>https://chem-bla-ics.linkedchemistry.info/2007/12/07/open-source-open-data-at-european</id><content type="html" xml:base="https://chem-bla-ics.linkedchemistry.info/2007/12/07/open-source-open-data-at-european.html"><![CDATA[<p>I was pleased to hear that <a href="http://www.steinbeck-molecular.de/steinblog/index.php/2007/12/06/steinbeck-group-moves-to-european-bioinformatics-institute-ebi-in-january-2008/">Christoph will move to the EBI</a>
early next year. Christoph has been working on Open Source and Open Data chemoinformatics since at least 1997. I first got in contact with
Christoph when I wrote code for JChemPaint (which Christoph developed) to be able to read
<a href="http://en.wikipedia.org/wiki/Chemical_Markup_Language">Chemical Markup Languages</a> (CML). This also got me into contact with
<a href="http://www.nd.edu/~gezelter/Main/index.html">Dan Gezelter</a> who is the original author of <a href="http://www.jmol.org/">Jmol</a>,
to which I also added CML support. And, of course, with Henry and <a href="http://wwmm.ch.cam.ac.uk/blogs/murrayrust/">Peter</a>,
who first developed CML. This was <strong>before</strong> XML was an official recommendation, and I have worked with CML files which you
would no longer recognize. It was in Dan’s office that the CDK was founded, where Christoph, Dan and I designed data
classes to replace the JChemPaint and Jmol data classes. Both JChemPaint and Jmol were rewritten afterwards, but for
Jmol it was later decided that more tuned classes were needed to achieve to required performance for the live rendering
of tens of thousands of atoms.</p>

<p>Well, Christoph has done many other Open Source and Open Data stuff, including the <a href="http://www.nmrshiftdb.org/">NMRShiftDB</a>,
<a href="http://www.bioclipse.net/">Bioclipse</a>, and Seneca, a tool for computer-aided structure elucidation (CASE). The scientific
impact for Christoph’s work is considerable. When I realize that much of his past work was setting out foundations, and
that these foundations have found the be solid, I am happy to hear that he can now start to apply his work to life
science problems, where current methods are failing.</p>

<p>Christoph, cheers!</p>]]></content><author><name>Egon Willighagen</name></author><category term="bioinfo" /><category term="jchempaint" /><category term="jmol" /><category term="bioclipse" /><category term="nmrshiftdb" /><summary type="html"><![CDATA[I was pleased to hear that Christoph will move to the EBI early next year. Christoph has been working on Open Source and Open Data chemoinformatics since at least 1997. I first got in contact with Christoph when I wrote code for JChemPaint (which Christoph developed) to be able to read Chemical Markup Languages (CML). This also got me into contact with Dan Gezelter who is the original author of Jmol, to which I also added CML support. And, of course, with Henry and Peter, who first developed CML. This was before XML was an official recommendation, and I have worked with CML files which you would no longer recognize. It was in Dan’s office that the CDK was founded, where Christoph, Dan and I designed data classes to replace the JChemPaint and Jmol data classes. Both JChemPaint and Jmol were rewritten afterwards, but for Jmol it was later decided that more tuned classes were needed to achieve to required performance for the live rendering of tens of thousands of atoms.]]></summary></entry><entry><title type="html">Excel messes up your data analysis :)</title><link href="https://chem-bla-ics.linkedchemistry.info/2007/08/01/excel-messes-up-your-data-analysis.html" rel="alternate" type="text/html" title="Excel messes up your data analysis :)" /><published>2007-08-01T00:00:00+00:00</published><updated>2007-08-01T00:00:00+00:00</updated><id>https://chem-bla-ics.linkedchemistry.info/2007/08/01/excel-messes-up-your-data-analysis</id><content type="html" xml:base="https://chem-bla-ics.linkedchemistry.info/2007/08/01/excel-messes-up-your-data-analysis.html"><![CDATA[<p>Well, no wonder: Excel is meant to be used to process money flows. Anyway, <a href="http://del.icio.us/greyarea">greyarea</a> pointed me to
<a href="http://itre.cis.upenn.edu/~myl/languagelog/archives/002912.html">this nice blog item</a> from March 2006. It discusses a 2004 article in
<a href="http://www.biomedcentral.com/bmcbioinformatics">BMC Bioinformatics</a> <em>Mistaken Identifiers: Gene name errors can be introduced
inadvertently when using Excel in bioinformatics</em> by Barry Zeeberg et al. (DOI:<a href="https://doi.org/10.1186/1471-2105-5-80">10.1186/1471-2105-5-80</a>).
Hence, the importance of semantics and proper markup languages. The quotes are illustrative:</p>

<blockquote>
  <p>When we were beta-testing [two new bioinformatics programs] on microarray data, a frustrating problem occurred repeatedly: Some
gene names kept bouncing back as “unknown.” A little detective work revealed the reason: … A default date conversion feature in
Excel … was altering gene names that it considered to look like dates. For example, the tumor suppressor DEC1 [Deleted in
Esophageal Cancer 1] was being converted to ‘1-DEC.’ Figure 1 lists 30 gene names that suffer an analogous fate.<br /><br /></p>

  <p>…<br /><br /></p>

  <p>There is another default conversion problem for RIKEN clone identifiers identifiers of the form nnnnnnnEnn, where n denotes a
digit. These identifiers are comprised of the serial number of the plate that contains the library, information on plate status,
and the address of the clone. A search … identified more than 2,000 such identifiers out of a total set of 60,770. For example,
the RIKEN identifier “2310009E13” was converted irreversibly to the floating-point number “2.31E+13.” A non-expert user might
well fail to notice that approximately 3% of the identifiers on a microarray with tens of thousands of genes had been converted
to an incorrect form, yet the potential for 2,000 identifiers to be transmogrified without notice is a considerable concern. Most
important, these conversions to an internal date representation or floating-point number format are irreversible; the original
gene name cannot be recovered.</p>
</blockquote>

<p>Is this the article that made all bioinformaticians turn to R?</p>]]></content><author><name>Egon Willighagen</name></author><category term="bioinfo" /><category term="excel" /><category term="justdoi:10.1186/1471-2105-5-80" /><summary type="html"><![CDATA[Well, no wonder: Excel is meant to be used to process money flows. Anyway, greyarea pointed me to this nice blog item from March 2006. It discusses a 2004 article in BMC Bioinformatics Mistaken Identifiers: Gene name errors can be introduced inadvertently when using Excel in bioinformatics by Barry Zeeberg et al. (DOI:10.1186/1471-2105-5-80). Hence, the importance of semantics and proper markup languages. The quotes are illustrative:]]></summary></entry><entry><title type="html">Screencasts for life science informatics</title><link href="https://chem-bla-ics.linkedchemistry.info/2007/07/20/screencasts-for-life-science.html" rel="alternate" type="text/html" title="Screencasts for life science informatics" /><published>2007-07-20T00:00:00+00:00</published><updated>2007-07-20T00:00:00+00:00</updated><id>https://chem-bla-ics.linkedchemistry.info/2007/07/20/screencasts-for-life-science</id><content type="html" xml:base="https://chem-bla-ics.linkedchemistry.info/2007/07/20/screencasts-for-life-science.html"><![CDATA[<p><a href="http://mndoci.com/blog/">Deepak</a> blogged about <a href="http://mndoci.com/blog/2007/07/18/bioscreencastcom-02/">screencasting for bio topics</a>,
concentrated at <a href="https://web.archive.org/web/20070701050807/http://bioscreencast.com/">bioscreencast.com <i class="fa-solid fa-box-archive fa-xs"></i></a>
of which he is co-owner. I guess it is like a YouTube for
bioinformatics thingies. <a href="http://usefulchem.blogspot.com/">Jean-Claude</a> picked this up very quickly (seen on
<a href="http://cb.openmolecules.net/">Cb</a>? At least I did.), and already uploaded a screencast,
<a href="https://web.archive.org/web/*/http://bioscreencast.com/bsc_movwin.html*">demoing JSpecView <i class="fa-solid fa-link-slash fa-xs"></i></a>
written by <a href="http://wwwchem.uwimona.edu.jm:1104/chrl.html">Robert</a>. I wonder if he will upload the
<a href="http://usefulchem.blogspot.com/2006/07/cml-in-rss-feeds.html">screencasts he made for</a>
<a href="http://www.bioclipse.net/">Bioclipse</a> too? (hint, hint … :)</p>

<p>I have no idea if this site will be a success, but at least it has the right ingredients: tags, flash movies, clean UI, a
<a href="http://bioscreencast.wordpress.com/">blog to monitor technological changes and improvements</a>, and a page to
request screencasts (with voting). What I only miss is a one summary page for each screencast to which I can
easily link, for example for my <a href="http://del.icio.us/egonw">del.icio.us</a> account.</p>]]></content><author><name>Egon Willighagen</name></author><category term="bioinfo" /><summary type="html"><![CDATA[Deepak blogged about screencasting for bio topics, concentrated at bioscreencast.com of which he is co-owner. I guess it is like a YouTube for bioinformatics thingies. Jean-Claude picked this up very quickly (seen on Cb? At least I did.), and already uploaded a screencast, demoing JSpecView written by Robert. I wonder if he will upload the screencasts he made for Bioclipse too? (hint, hint … :)]]></summary></entry><entry><title type="html">Are chemogenomics and proteochemometrics the same?</title><link href="https://chem-bla-ics.linkedchemistry.info/2006/10/11/are-chemogenomics-and.html" rel="alternate" type="text/html" title="Are chemogenomics and proteochemometrics the same?" /><published>2006-10-11T00:00:00+00:00</published><updated>2006-10-11T00:00:00+00:00</updated><id>https://chem-bla-ics.linkedchemistry.info/2006/10/11/are-chemogenomics-and</id><content type="html" xml:base="https://chem-bla-ics.linkedchemistry.info/2006/10/11/are-chemogenomics-and.html"><![CDATA[<p><a href="http://www.blogger.com/profile/2366764">Joerg Wegner</a> <a href="http://miningdrugs.blogspot.com/2006/09/chemogenomics-structuring-drug.html">recently blogged</a>
about <em>Chemogenomics: structuring the drug discovery process to gene families</em> by C.J. Harris and A. P. Stevens in Drug Discov Today
(DOI: <a href="https://doi.org/10.1016/j.drudis.2006.08.013">10.1016/j.drudis.2006.08.013</a>). This review article provides a nice overview of a trend in
mathematical modelling of the interaction of small organic molecules with proteins, often referred to as <a href="http://en.wikipedia.org/wiki/QSAR">QSAR</a>.
What the article does not discuss, is the <a href="http://www.proteochemometrics.org/index.php?option=com_content&amp;task=view&amp;id=20&amp;Itemid=22">work by the group of Jarl Wikberg</a>
who coined the term proteochemometrics (see PubMed: <a href="https://pubmed.ncbi.nlm.nih.gov/11342268/">11342268</a>).</p>]]></content><author><name>Egon Willighagen</name></author><category term="cheminf" /><category term="bioinfo" /><category term="justdoi:10.1016/j.drudis.2006.08.013" /><category term="justdoi:10.1016/s0304-4165(00)00187-2" /><summary type="html"><![CDATA[Joerg Wegner recently blogged about Chemogenomics: structuring the drug discovery process to gene families by C.J. Harris and A. P. Stevens in Drug Discov Today (DOI: 10.1016/j.drudis.2006.08.013). This review article provides a nice overview of a trend in mathematical modelling of the interaction of small organic molecules with proteins, often referred to as QSAR. What the article does not discuss, is the work by the group of Jarl Wikberg who coined the term proteochemometrics (see PubMed: 11342268).]]></summary></entry><entry><title type="html">Bioinformatics: Open Source or Open Access??</title><link href="https://chem-bla-ics.linkedchemistry.info/2006/10/04/bioinformatics-open-source-or-open.html" rel="alternate" type="text/html" title="Bioinformatics: Open Source or Open Access??" /><published>2006-10-04T00:00:00+00:00</published><updated>2006-10-04T00:00:00+00:00</updated><id>https://chem-bla-ics.linkedchemistry.info/2006/10/04/bioinformatics-open-source-or-open</id><content type="html" xml:base="https://chem-bla-ics.linkedchemistry.info/2006/10/04/bioinformatics-open-source-or-open.html"><![CDATA[<p>I have heard that bioinformatics is ahead of chemoinformatics. However, I discoverd that this is not necessarily the case,
while preparing for a homology modeling course I gave this week at the <a href="http://www.cubic.uni-koeln.de/">CUBIC</a>. Open Access
is really no issue there, with open access journals and many open access databases. But it is different when it comes down
to open source software.</p>

<p>Below is a list of bioinformatics programs which are free for academic use, but not open:</p>

<ul>
  <li><a href="http://www-cryst.bioc.cam.ac.uk/~joy/">JOY</a> (free after getting license)</li>
  <li><a href="http://www.cryst.chem.uu.nl/platon/">PLATON</a> (free download)</li>
  <li><a href="http://www.biochem.ucl.ac.uk/~roman/procheck/procheck.html">PROCHECK</a> (free after getting license)</li>
  <li><a href="http://www.predictprotein.org/">ProteinPredict</a> (free download)</li>
  <li><a href="http://dunbrack.fccc.edu/SCWRL3.php">SCWRL</a> (free after getting license)</li>
  <li><a href="http://bioinf.cs.ucl.ac.uk/threader/">THREADER</a> (free after getting license)</li>
  <li><a href="http://swift.cmbi.ru.nl/gv/whatcheck/">WHAT_CHECK</a> (free download)</li>
  <li><a href="http://swift.cmbi.ru.nl/whatif/">WHAT_IF</a> (free after getting license)</li>
</ul>

<p>And this not even includes the many websites which do not offer the software behind them. And these programs cover several
steps in the whole homology modeling process. Open source homology modeling is not possible at this moment :(</p>

<p>But, on the bright side, there are already some open source programs involved too:</p>

<ul>
  <li><a href="http://www.ncbi.nlm.nih.gov/blast/">BLAST</a> (public domain)</li>
  <li><a href="http://www.gromacs.org/">GROMACS</a> (GPL)</li>
</ul>

<p>And protein structure viewers is hardly a problem at all; several open source viewers are available, among which
<a href="http://pymol.sourceforge.net/">Rasmol</a>, <a href="http://pymol.sourceforge.net/">PyMOL</a> and
<a href="http://www.jmol.org/">Jmol</a>.</p>

<p>In other words: we might not want to look at bioinformatics too much.</p>]]></content><author><name>Egon Willighagen</name></author><category term="opensource" /><category term="bioinfo" /><summary type="html"><![CDATA[I have heard that bioinformatics is ahead of chemoinformatics. However, I discoverd that this is not necessarily the case, while preparing for a homology modeling course I gave this week at the CUBIC. Open Access is really no issue there, with open access journals and many open access databases. But it is different when it comes down to open source software.]]></summary></entry><entry><title type="html">Blue Obelisk in Obernai at Chemoinformatics in Europe</title><link href="https://chem-bla-ics.linkedchemistry.info/2006/05/28/blue-obelisk-in-obernai-at.html" rel="alternate" type="text/html" title="Blue Obelisk in Obernai at Chemoinformatics in Europe" /><published>2006-05-28T00:00:00+00:00</published><updated>2006-05-28T00:00:00+00:00</updated><id>https://chem-bla-ics.linkedchemistry.info/2006/05/28/blue-obelisk-in-obernai-at</id><content type="html" xml:base="https://chem-bla-ics.linkedchemistry.info/2006/05/28/blue-obelisk-in-obernai-at.html"><![CDATA[<p>Together with <a href="http://wiki.cubic.uni-koeln.de/blog/pivot/entry.php?id=7">Christoph</a>, Christian and Jerome, I will be
representing the Blue Obelisk movement on the first <a href="http://infochim.u-strasbg.fr/recherche/europeen_chemistry/index.php">First Workshop on Chemoinformatics in
Europe</a> with the topic <em>Research and Teaching</em>.
Though I wonder what this theme excludes? Development? Can’t imagine that commercials companies will not be
represented as usual. Moreover, it will likely include some bioinformatics too, unless you consider that to
deal with sequences only.</p>

<p>I have my laptop with me, and, of course, the <a href="https://chem-bla-ics.linkedchemistry.info/2006/05/22/live-life-sciences-cd.html">Blue Obelisk Live CD 2 <i class="fa-solid fa-recycle fa-xs"></i></a>
on which the mouse now actually works. <a href="http://bioclipse.blogspot.com/2006/05/bioclipse-091-released.html">Bioclipse 0.9.1</a>
does not work, though; will report that bug later.</p>

<p>My work schedule for the train ride:</p>

<ul>
  <li>Work on my manuscript</li>
  <li>Integrate Todd Martin’s SMILES and QSAR work</li>
  <li>Work on the next CDK News</li>
  <li>Think about InChI creation in Bioclipse, using OpenBabel</li>
</ul>]]></content><author><name>Egon Willighagen</name></author><category term="cdk" /><category term="bioclipse" /><category term="cheminf" /><category term="bioinfo" /><summary type="html"><![CDATA[Together with Christoph, Christian and Jerome, I will be representing the Blue Obelisk movement on the first First Workshop on Chemoinformatics in Europe with the topic Research and Teaching. Though I wonder what this theme excludes? Development? Can’t imagine that commercials companies will not be represented as usual. Moreover, it will likely include some bioinformatics too, unless you consider that to deal with sequences only.]]></summary></entry><entry><title type="html">New open access journal Source Code for Biology and Medicine</title><link href="https://chem-bla-ics.linkedchemistry.info/2006/05/11/new-open-access-journal-source-code.html" rel="alternate" type="text/html" title="New open access journal Source Code for Biology and Medicine" /><published>2006-05-11T00:00:00+00:00</published><updated>2006-05-11T00:00:00+00:00</updated><id>https://chem-bla-ics.linkedchemistry.info/2006/05/11/new-open-access-journal-source-code</id><content type="html" xml:base="https://chem-bla-ics.linkedchemistry.info/2006/05/11/new-open-access-journal-source-code.html"><![CDATA[<p><a href="http://www.biomedcentral.com/">BioMed Central</a> is setting up a new peer-reviewed, open access journal
<a href="http://www.scfbm.org/">Source Code for Biology and Medicine</a>. It will <em>“encompass all aspects of workflow for
information systems, decision support systems, client user networks, database management, and data mining”</em>.
Basically, anything that fits into chem-bla-ics. (Thanx to Werner, for pointing me to the website!)</p>

<p>The ‘source code’ aspect is the interesting thing of this new journal. The editorial board set the aim to <em>publish
source code for distribution and use in the public domain in order to advance biological and medical research</em>.
And, in a bit more detail, they list the following goals:</p>

<ul>
  <li>increase productivity</li>
  <li>reduce discovery times</li>
  <li>reduce search times for source code</li>
  <li>Provide a historical reflection of source code applied</li>
  <li>serve as a repository</li>
</ul>

<p>This comes close to what open source is trying to achieve too, but I do not differences. For example, the announcement
mentions the public domain (see the <a href="http://en.wikipedia.org/wiki/Public_domain">Wikipedia entry</a>). I tend to be a
bit confused by the use of this term: to me the public domain is where things end up after copyright claims have
ended, and everyone is free to do with it whatever he wants, and, very important in this case, that open source
software is not in the public domain. Do they mean that they will not allow open source in the new journal?</p>

<p>I also wonder wether we need a journal like this? Open source projects often have other resources available that
serve as repository (e.g. <a href="https://sourceForge.net">SourceForge <i class="fa-solid fa-recycle fa-xs"></i></a>), and the use
version control systems as repositories (like <a href="http://www.nongnu.org/cvs/">CVS</a>, <a href="http://subversion.tigris.org/">Subversion</a>)
is widespread too, which takes care of the historical reflection. Indeed, many open source software is already
published in other journals.</p>

<p>The process of picking the journal to submit to, often involves looking up the journals impact factor. Is this new
journal expected to get a high impact factor? How many people will regularly read the journal? Will it be read by
the right audience, or just by fellow bioinformaticians?</p>

<p>Though I have my doubts about the success of this journal, I am looking forward to the first issue!</p>

<p><strong>Update</strong>: <a href="http://www.nodalpoint.org/user/pedrobeltrao">Pedro</a> <a href="https://web.archive.org/web/20060615123103/http://www.nodalpoint.org/2006/05/12/source_code_for_biology_and_medicine">pointed <i class="fa-solid fa-box-archive fa-xs"></i></a>
me to the <a href="https://web.archive.org/web/20060620202859/http://www.scfbm.org/info/about/">About page <i class="fa-solid fa-box-archive fa-xs"></i></a> of
the SCFBM, giving details on the types of articles taken into consideration.</p>]]></content><author><name>Egon Willighagen</name></author><category term="openscience" /><category term="bioinfo" /><summary type="html"><![CDATA[BioMed Central is setting up a new peer-reviewed, open access journal Source Code for Biology and Medicine. It will “encompass all aspects of workflow for information systems, decision support systems, client user networks, database management, and data mining”. Basically, anything that fits into chem-bla-ics. (Thanx to Werner, for pointing me to the website!)]]></summary></entry></feed>