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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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BioclipseGitChemical Sciences
Published

This is a series of two posts repeating some content I wrote up back in the Bioclipse days (see also this Scholia page). They both deal with something we were facing: restructuring of version control repositories, while actually keeping the history. For example, you may want to copy or move code from one repository to another.

WikidataSparqlRdfChemical Sciences
Published

A figure from the article, outlining the idea of using SPARQL queries to extract data from the open knowledge base. As a reader of my blog, you know I have been doing quite some research where Wikidata has some role. I am preparing a paper on the work I have done around chemicals in Wikidata, based on what I presented at the ICCS with a poster.

NanopubWikidataGroovyChemical Sciences
Published

Yesterday, I struggled some with creating nanopublications with Groovy. My first attempt was an utter failure, but then I discovered Thomas Kuhn’s NanopubCreator and it was downhill from there. On the right, a depiction is given of a compound found in Taphrorychus bicolor (doi:10.1002/JLAC.199619961005). Published in Liebigs Annalen , see this post about the history of that journal. There are two good things about this.

CurationWikipathwaysChemical Sciences
Published

Found my way back to my room a few kilometers from the San Francisco city center, after a third day at the WikiPathways 2018 Summit at the Gladstone Institutes in Mission Bay, celebrating 10 years of the project, which I only joined some six and a half years ago. The Summit was awesome and the whole trip was awesome. The flight was long, with a stop in Seattle.

DataGoogleChemical Sciences
Published

There was a lot of Open Science news this week. The announcement of the Google Dataset Search was one of them: Of course, I first tried searching for “RDF chemistry” which shows some of my data sets (and a lot more): It picks up data from many sources, such as Figshare in this image. That means it also works (well, sort of, as Noel O’Boyle noticed) for supplementary information from the Journal of Cheminformatics.

WikidataScholiaChemistryBridgedbCasChemical Sciences
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Bar chart showing the number of compounds with a particular chemical identifier. I think Wikidata is a groundbreaking project, which will have a major impact on science. One of the reasons is the open license (CCZero), the very basic approach (Wikibase), and the superb community around it. For example, setting up your own Wikibase including a cool SPARQL endpoint, is easily done with Docker.

NanosafetyEnanomapperNanocommonsEunscChemical Sciences
Published

The U.S.A and European nanosafety communities have a longstanding history of collaboration. On both sides there are working groups, NanoWG and WG-F (previously called WG4) of the NanoSafety Cluster. I have been chair of WG4 for about three years and still active in the group, though in the past half year, without dedicated funding, less active. That is already changing again with the imminent start of the NanoCommons project.

SolsticeAltmetricsOpencitationsChemical Sciences
Published

Hi all, welcome to this winter solstice challenge! Umm, to not give our southern hemisphere colleagues not a disadvantage, as their winter solstice has already passes, you’re up for a summer solstice challenge! Introduction So, you know ImpactStory and Altmetric.com (if not, browse my blog); these are wonderful tools to see what people are doing with your work.