Harnessing FAIR data is an event being held in London on September 3rd; no doubt most speakers will espouse its virtues and speculate about how to realize its potential. Admirable aspirations indeed, but capturing hearts and minds also needs lots of real life applications! Whilst assembling a forthcoming post on this blog, I realized I might have one nice application which also pushes the envelope a bit further, in a manner that I describe below.
Posts Tagged ‘chemical context’
Harnessing FAIR data: A suggested useful persistent identifier (PID) for quantum chemical calculations.
Tuesday, August 7th, 2018Tags:Academic publishing, chemical context, Code, data, DataCite, energy, free energy activation barrier, Identifiers, Information, Interesting chemistry, ISO/IEC 11179, ORCiD, quantum chemical calculations, real life applications, Technical communication
Posted in Interesting chemistry | 9 Comments »
Revisiting (and maintaining) a twenty year old web page. Mauveine: The First Industrial Organic Fine-Chemical.
Thursday, February 2nd, 2017Almost exactly 20 years ago, I started what can be regarded as the precursor to this blog. As part of a celebration of this anniversary, I revisited the page to see whether any of it had withstood the test of time. Here I recount what I discovered.
Tags:10.5517, Advertising & Marketing - NEC, chemical context, Chemical IT, chemical markup language, City: London, Commercial REITs - NEC, Company: Chime, Company: Eastman Kodak, Company: First Industrial, digital cameras, Digital Object Identifier, food additives, Historical, HTML, Imperial College, industrial strength HTML editor, Java, JavaScript, manufacturing factory, mauveine using molecular modelling software, Person Attributes, Photographic Equipment, Technology/Internet, validation tool, Web, web archaeology, web server, XML, year old Web pages
Posted in Chemical IT, Historical | 1 Comment »
Metametadata: data about data about (chemical) data.
Saturday, April 16th, 2016Scientists are familiar with the term data, at least in a scientific or chemical context, but appreciating metadata (meaning "after", or "beyond") is slightly more subtle, in the sense of using it to mean data about data. The challenge lies in clarifying where the boundary between data and its metadata lies and in specifying and controlling the vocabulary used for these metadata descriptions. Items in a chemical metadata dictionary might include e.g. subject classifications such as Organic Molecular Chemistry or identifiers such as InChIkey. But what could metametadata be? Here I briefly show some examples by way of illustration.
Tags:Academic publishing, automated software analysis, BASE, chemical context, Chemical Database Service, Chemical IT, chemical metadata, chemical metadata dictionary, chemical space, City: Cambridge, Data dictionary, Data management, Identifiers, Knowledge representation, programmer, Registry of Research Data Repositories, search.datacite.org/api, SPECTRa, Technology/Internet
Posted in Chemical IT | No Comments »