chem-bla-ics
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  • Dec 19, 2006

    Chemistry in HTML: Greasemonkey again

    Here’s a quick update on my blog about SMILES, CAS and InChI in blogs: Greasemonkey last sunday. The original download was messed up :( You can download a new version at userscripts.org.

    2 minute read
  • Dec 17, 2006

    SMILES, CAS and InChI in blogs: Greasemonkey

    As follow up on my Including SMILES, CML and InChI in blogs blog last week, I had a go at Greasemonkey. Some time ago already, Flags and Lollipops and Nodalpoint showed with two cool mashups (one Connotea/Postgenomic and one Pubmed/Postgenomic) that userscripts are rather useful in science too. I can very much recommend the PubMed/Postgenomic mashup, as PubMed has several organic chemistry journals indexed too!

    1 minute read
  • Dec 17, 2006

    Counting constitutional isomers from the molecular formula

    Update: check these two papers.

    1 minute read
  • Dec 12, 2006

    Molecular Chemometrics

    I just found out that a review article that I wrote earlier this year got printed: Molecular Chemometrics (DOI:10.1080/10408340600969601), with my personal view on the interplay between chemoinformatics and chemometrics. The review discusses interesting developments in the last five years, and was fun writing (reading too, I think :). It has four major topics:

    less than 1 minute read
  • Dec 10, 2006

    Including SMILES, CML and InChI in blogs

    The blogs ChemBark and KinasePro have been discussing the use of SMILES, CML and InChI in Chemical Blogspace (with 70 chemistry blogs now!). Chemists seem to prefer SMILES over InChI, while there is interest in moving towards CML too. Peter commented.

    2 minute read
  • Dec 9, 2006

    H-index in chemoinformatics

    Peter blogged about the h-index, which is a measure for ones scientific impact. He used Google Scholar, but I do not feel that that database is clean enough. I believe a better source would be the ISI Web-of-Science.

    1 minute read
  • Dec 6, 2006

    The power of big numbers

    Contributions to open data do not have to be large, as long as many people are doing it. The Wikipedia is a good example, and PubChem accepts contributions of small databases too (I think). The result can still be large and rather useful, even scientifically.

    less than 1 minute read
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  • Egon Willighagen
  • 0000-0001-7542-0286

Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.