Courtesy of Andres Rueda, Flickr There are still places available at the 2012 conference on Therapeutic Applications of Computational Biology and Chemistry (TACBAC), 12-14 March 2012, at the Wellcome Trust Conference Centre, Wellcome Trust Genome Campus, Hinxton, Cambridge, UK This conference will bring together leading researchers investigating computational chemistry and biology techniques as applied to advancing our [...]
Entries Tagged as 'Chemoinformatics'
Upcoming conference: Therapeutic Applications of Computational Biology and Chemistry (TACBAC)
December 9th, 2011 · No Comments · Chemoinformatics, Conferences and Meetings, Databases, Hot Science, Life of Chris, People, Scientific Culture
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CDK-Taverna paper published
March 29th, 2010 · No Comments · Chemistry Development Kit, Chemoinformatics, Open Science, Open Source, Open Standards
We are glad to announce that our article about CDK-Taverna, an open workflow solution for cheminformatics, is now online on BMC Bioinformatics. CDK-Taverna, which lives at http://www.cdk-taverna.de/, features more than 160 workers for various tasks in molecular informatics. The workflow paradigm allows scientists to flexibly create generic workflows using different kinds of data sources, filters [...]
Tags: CDK-Taverna
Web chemistry components in JavaScript
October 8th, 2009 · No Comments · Chemoinformatics, Open Science
Colleague Noel O’Boyle has already reported it: There is now an open collection of javascript-based chemistry components for the web, called ChemDoodle, released under GPL license by iChemLabs, inc. The stuff looks really neat. The collection comprises viewers, an editor, a look-up component (try entering accession numbers such as “1″, “2″ or “3″ (you get [...]
1st Call for Papers: Computational Aspects of Metabolomics (CINF Symposium, ACS Spring 2010)
September 7th, 2009 · No Comments · Chemoinformatics, Conferences and Meetings, Hot Science, Life of Chris, Open Science, Scientific Culture
First Call for Papers: Computational Aspects of Metabolomics 239th ACS National Meeting San Francisco, March 21-25, 2010 CINF Division We now invite papers for our symposium on computational aspects of Metabolomics at the 239th National Meeting of the American Chemical Society (ACS) in San Francisco next spring. Metabolomics studies the occurrence and change of concentrations [...]
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First paper in Journal of Cheminformatics reaches “highly accessed” status
July 23rd, 2009 · No Comments · Chemoinformatics, Open Science, Publishing, Scientific Culture
Our new Journal of Cheminformatics has as of today, 22/07/09, published 11 papers since its launch in March of this year. One of those 11 papers has now reached the “highly accessed” status after it has recently been downloaded more than 1000 times. This is time for a celebration since it again demonstrates the superior [...]
Tags: highly accessed·Journal of Cheminformatics·Open Access
What do we expect from a chemical structure editor applet?
July 11th, 2009 · No Comments · ChEBI, Chemistry Development Kit, Chemoinformatics, JChemPaint, Open Science, Open Source, Scientific Culture
My team at the EBI maintains a couple of databases [1,2,3] dealing with various aspects of (bio-) organic chemistry. All of them need chemical structure editor applets where users can specify queries for substructure searches and which are used by our curators for data entry.The development of these databases is funded by the European Union [...]
Tags: JChemPaint·Open Source
Do a cheminformatics PhD thesis at a world-class institution
June 16th, 2009 · No Comments · Chemoinformatics, Hot Science, Open Access, Open Data, Open Science, Open Source, People, Scientific Culture, Teaching
If the pompous title caught your attention, and you are ashamed of that: Don’t worry. It is all true. My cheminformatics and metabolism group at the European Bioinformatics Institute (EBI) is looking for a phd student this year and all you need to do is apply through the regular route. The range of possible topics [...]
Tags: cheminformatics research·EBI·PhD
ChEBI chemistry ontology development funded by BBSRC
May 19th, 2009 · No Comments · ChEBI, Chemoinformatics, Open Data, Open Science, Open Standards
We received our official award letter from BBSRC Tools and Resources Fund today for the ChEBI ontology development grant. Needless to say, we are thrilled. We are now going to work together with Michael Ashburner’s group at the University of Cambridge to align ChEBI with other OBO Foundry ontologies by adoption of the Basic Formal [...]
Tags: ChEBI·Ontologies
ChEBI release 56, now with SD file
April 30th, 2009 · 6 Comments · ChEBI, Chemoinformatics, Databases, Open Access, Open Science, Open Source, People, Scientific Culture
We are pleased to announce release 56 of our database of Chemical Entities of Biological Interest (ChEBI). SDF files are now available with ChEBI Release 56. They can be exported via the Downloads section or the search results page. We also have automatically generated links from IntEnz (www.ebi.ac.uk/intenz) and Rhea (www.ebi.ac.uk/rhea). This release contains 17842 [...]
Tags: ChEBI·Curation·Ontologies
CDK Workshop 2009 Wrap-up
April 23rd, 2009 · No Comments · Bioclipse, Blue Obelisk, Chemistry Development Kit, Chemoinformatics, Conferences and Meetings, Databases, Fun, Life of Chris, Open Science, Open Source, People, Scientific Culture, Teaching
The CDK workshop 2009 is over and what is left is a bad cold. But I’ll get over it. The workshop itself was phantastic – we had 40 participants with well balanced contributions from industry and academia. The first half day was dedicated to tutorials on various aspects of CDK, basic installation, our CDK and [...]
Tags: CDK·Cheminformatics·Open Source