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chem-bla-ics

chem-bla-ics
Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.
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KdeCiencias QuímicasInglés
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Now that my CUBIC desktop machine is shutting down, I made the necessary backups, among a mail.tar for my mail correspondence of about a year. About 500MB in size for almost 8700 files. Strigi is a perfect tool to help me find messages in this archive, as it will recurse into the .tar archive, and even into email attachements.

JavaCheminfCdkCiencias QuímicasInglés
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Some time ago I wrote a small Perl script to convert a decision tree created with Weka in the ARFF format to Java source code, for use in the ionization potential prediction in CDK. The advantage is that Weka is no longer used are runtime, and that there is no model that needs to be loaded and interpreted. Instead, it is simple Java code that does the work, much faster.

CopyrightCiencias QuímicasInglés
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I just read on Planet Blue Obelisk Peter’s disturbing news (via Suber ) that Wiley thinks it can copyright a set of numbers (also known as data). That is a sad milestone in scientific publishing. It reminds me of the recent internet hype about a long number recently flooding the internet (and notably del.icio.us) related to watching DVDs you legally bought.

RdfMicroformatChemistryCiencias QuímicasInglés
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Peter blogged some days ago about microformats and how they could be used in chemistry. Being late and a bit absent minded, I added a short comment that Chemical blogspace supports microformats for chemistry , and that chemistry is harvested from that, and actually semantically distributed again using CMLRSS.

CbInchiUserscriptRdfCiencias QuímicasInglés
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About a year ago Pedro wrote a Greasemonkey script to add comments from PostGenomic.com to table of contents of scientific journals. Noel extended it with support for Chemical blogspace (see also this earlier item). Now, the later website is maintained by me, and I extended the aggregator software with molecule support, for example to show hot molecules on the frontpage (at some point my patches will be backported into mainstream.

CheminfCareerCiencias QuímicasInglés
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Yesterday and today I was in Cologne to meet with other ex-CUBIC researchers from Christoph’s research group on chemoinformatics (and with Alexandr). Not all former group members where there, but on the other hand we were complemented with Pascal: