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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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SolsticeAltmetricsOpencitationsCiencias QuímicasInglés
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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.

ScholiaNanopubCiencias QuímicasInglés
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It takes effort to move scholarly publishing forward. And the traditional publishers have not all shown to be good at that: we’re still basically stuck with machine-broken channels like PDFs and ReadCubes. They seem to all love text mining, but only if they can do it themselves. Fortunately, there are plenty of people who do like to make a difference and like to innovate. I find this important, because if we do not do it, who will.

WikidataChemistryCiencias QuímicasInglés
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In 2010 Samuel Lampa and I started a pet project: collecting pK a data: he was working on RDF extension of MediaWiki and I like consuming RDF data. We started DrugMet. When you read this post, this MediaWiki installation may already be down, which is why I am migrating the data to Wikidata. Why?

WikidataChemistryBioclipseCiencias QuímicasInglés
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Adding chemical compounds to Wikidata is not difficult. You can store the chemical formula (P274), (canonical) SMILES (P233), InChIKey (P235) (and InChI (P234), of course), as well various database identifiers (see what I wrote about that here ]). It also allows storing of the provenance, and has predicates for that too. So, to enter a new structure for a compound, you should enter the compound information to Wikidata.

CasWikidataChemistryCiencias QuímicasInglés
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Source: Wikipedia. CC-BY-SA April this year I blogged about an important SPARQL query for many chemists: getting CAS registry numbers from Wikidata. This is relevant for two reasons: CAS works together with Wikimedia on a large, free CAS-to-structure database Wikidata is CCZero The original effort validated about eight thousand registry numbers, made available via Wikipedia and the Common Chemistry website.

Pra3006Ciencias QuímicasInglés
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I previously wrote about the JavaScript Object Notation (JSON) which has become a de facto standard for sharing data by web services. I personally still prefer something using the Resource Description Framework (RDF) because of its clear link to ontologies, but perhaps JSON-LD combines the best of both worlds. The Open PHACTS API support various formats and this JSON is the default format used by the ops.js library.