2007
December
- Christmas presents...
- The molecular QSAR descriptors in the CDK
- Test results for the CDK 1.0.x branch
- Open Data getting more recognition
- I don't blame Individuals in Commercial Chemoinformatics
- Tagging, thesauri or ontologies?
- Open Source, Open Data at the European Bioinformatics Institute
- My Open Laboratory 2007 submissions
- Web2O, Open Chemistry, and Chemblaics
November
- Be in my Advisory Board #1: being a good Open Science citizen
- Metabolomics workflows in Taverna
- MetWare: metabolomics database project started on SourceForge
- When standards fail...
- An R-based genetic algorithm
- Molecules in Wikipedia without InChIs #3
- Last Call for Open Laboratory 2007
- Scintilla and Postgenomic.com on Linux 2.6.17+
- Using the Nintendo Wii for serious science...
- Cytoscape in Amsterdam
- Comparing JUnit test results between CDK trunk/ and a branch
- Evidence of Aromaticity
- Glueing BioMoby services together with JavaScript in Bioclipse
October
- Offline CDK development using git-svn
- BioSpider: another molecule search engine
- My FOAF network #1: the FOAFExplorer
- One Billion Biochemical RDF Triples!
- My blog turned 2
- Bob improved the POV-Ray export of Jmol
- More QSAR in Bioclipse: the JOELib extension
- Open Data Misconception #1: you do not get cited for your contributions
- Lunch at Nature HQ (with Euan, Joanna, Ian and Ålf)
- ChemSpider: the SuSE GNU/Linux of chemical databases?
- Why ODOSOS is important
- CompLife2007, Utrecht/NL. Day 1 and 2
- Taverna Workshop, Day 1 Update
- Taverna Workshop, Hinxton, UK
- How the blogosphere changes publishing
September
- CompLife2007, Utrecht/NL; Taverna, EBI/Hinxton/UK
- SMILES to become an Open Standard
- Google's view in history
- re: ACS RSS feeds are messed up
- Tuning Google Results?
- SWT View with the new JChemPaint
- Tagging Molecules: a mashup of Connotea and RDF
- ACS RSS feeds are messed up
- Why plain QSAR is not enough for me...
- Outscoring old science
- New InChI software beta: license issues resolved and InChIKey
- Double-charging your readers: quite unacceptable indeed
- A JChemPaint Hack-a-thon
August
- NXClient on Ubuntu Gutsy
- XCMS on Ubuntu Feisty
- JChemPaint too: PNG embedded connectivity tables
- Automatic Classification of thousands of Crystal Structures
- Dapagliflozin: the molecular structure
- Operator 0.8 released: a new Sechemtic user script
- Touchgraphing my blog
- Centralized or decentralized?
- Molecular Connectivity Tables in Images
- Molecules in Wikipedia without InChIs
- Molecules in Wikipedia
- Excel messes up your data analysis :)
July
- Optical Chemical Structure Recognition
- RDF-ing molecular space
- Further Bioclipse QSAR functionality development
- OSRA: GPL-ed molecule drawing to SMILES convertor
- Screencasts for life science informatics
- The CDK data model #1
- The Open Science Notebook 10 years ago
- CDK Literature #2
- Inter- and Extrapolation: the NMR shift prediction debate
- That big pile of paper...
- Standing on the shoulders of ... the Blue Obelisk
- Atom typing in the CDK
June
- Chemical RDFa with Operator in the Firefox toolbar
- QSAR plugin for Bioclipse getting in shape
- Test File Repository and RelaxNG
- Nature should host our Electronic Lab Notebooks
- Archiving spectra: use InChI and CML
- A new job: post-doc at the WUR on MS based structure elucidation
- Quality of Chemical Database
- Using Wikipedia to recognize Molecules in Blogspace
- Payed summer jobs in chemoinformatics
- Janocchio: Jmol and CDK based 1H coupling constant prediction
- Preprint servers: the CPS failed, how will Nature Precedings do?
- Scientific Literature: searching, ranking, storage
- A Blue Obelisk corner in Chemical Blogspace
- Finding email with Strigi in .tar backups
May
- ChemRank: ranking scientific literature
- Weka Decision Trees to Java Conversion
- The JCIM is linking to Planet Blue Obelisk??
- Numbers are copyrighted?
- Added my hCard to my blog
- Microformats in chemistry...
- Preparing a Chemoinformatics workshop
- Cb comments for InChI's
April
- Improved CMLRSS feed for Chemical blogspace
- Ex-CUBIC get-together
- Bioclipse now allows QSAR descriptor selection
- CDK 1.0: a milestone after 7 year of development
- Clustering web search results
- CUBIC period is over
March
- ACS Chicago - Day #3
- ACS Chicago - Day #2
- ACS Chicago - Day #1
- Arrived in Chicago...
- Chicago (Bulls), here I come!
- Pipelining chemical information with Yahoo Pipes
- What is dapagliflozin?
- Fast molecular similarity with a new 3D shape descriptor
February
- Nature Network v2: cannot create a new group
- Invisible InChI's
- Pimp my JavaDoc
- Is that Jmol in that D-Wave demo?
- Writing up my PhD introduction chapter...
- CDK Workshop - Days #3 and #4
- RSC: the first publisher to go semantic!
January
- CDK Workshop - Day #2
- OSMB2007 Day #1: venture capital, scientific blogger and Kepler
- Blogging and the Press
- Open Source Meets Business 2007
- CDK Literature #1
- Why do I blog?
- The del.icio.us tagometer on www2.blogger.com
- The del.icio.us tagometer on Blogspot.com
- Chemical blogspace is getting more chemical
- Chemistry in HTML: JavaScript from the server