Noel's chemical ASCII art

Very short post, but this is brilliant! Not sure if Noel posted this in reply to this Blue Obelisk eXchange question, but certainly answers it: less than 1 minute read

The CDK 2003 paper is now cited 99 times

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A list of things I miss in CiteULike

AJCann posted a blog today about what he doesn’t like about Mendeley. Abhishek replied that he does not like people complain about one tool, instead of pointing out a good alternative. Mendeley has two alternatives, Zotero and CiteULike (there is also Connotea, but got behind in evolution). 2 minute read

xournal: free annotator for PDFs

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Call for Papers: Thematic Series about RDF in Chemistry

As a follow up of the ACS RDF 2010 Symposium we just had in Boston, I can announce that we are preparing a thematic series in the Journal of Cheminformatics around this theme, and that at least six speakers will present their work in this series. 2 minute read

CDK 1.3.6: the changes, authors, and reviewers

The list of changes is particularly long for this development release. Therefore, I will list the authors and reviewers first. Note that this release also includes the changes of the 1.2.6 and CDK 1.2.7 release . 10 minute read

CDK 1.2.7: the changes, the authors, and the reviewers

CDK 1.2.7 is the latest of bug fix releases in the 1.2 series. It brings a number of JavaDoc fixes, but, importantly, also bug fixes in SMILES handling and atom type perception. I am really pleased to see the application domain of various algorithms in the CDK continously grow: SMILES parsing for some transition metals has been fixed, and the SMILES generation for some types of ring closures too. Additionally, an important bug was fixed in the atom type perception algorithm, which failed for custom atom types with formal charges. Everyone using the CDK 1.2 series is advised to upgrade to this version. 1 minute read