GitToDo support for Freemind: graphical mapping of important things on my schedule

About a week ago, I hooked up my GitToDo software with Freemind. This allows me to organize the projects I am working on, without having to code this in GitToDo directly. I also immediately take advantage of visualization, for example, adding an icon for projects with one or more TODO items marked TODAY or URGENT: less than 1 minute read

Chemical Editing...

As you might have seen, we, Uppala and the EBI, are working on the next generation JChemPaint. JChemPaint is an editor, and therefore, consists of a model (IChemModel), a view (IRenderer) and a controller (IController). See the many posts in Gilleain’s blog. 1 minute read

Chem-bla-ics turns 3!

Five days ago, my chem-bla-ics blog turned 3. Here’s the first post. It defined: less than 1 minute read

Chemoinformatics p0wned by cheminformatics... #2

Some time ago Noel ran a poll on chemoinformatics and cheminformatics, so I set up a poll too in part #1 of this series. The outcome is clear: less than 1 minute read

Jmol 11.6 RC 18 in Bioclipse

Just updated Bioclipse2 with Jmol 11.6 RC 18: less than 1 minute read

pKa prediction, or, how to convert a JCIM paper into Java

Lee et al. published last week a paper on pKa prediction (doi:10.1021/ci8001815). As the paper says, the pKa, and in particular the ionic state of a molecule at physiological pH, affects pharmacokinetics and pharmacodynamics. The paper describes a (binary) decision tree using presence or absence of SMARTS substructures to traverse the tree, allowing prediction of monoprotic molecules. 6 minute read

Who likes my FriendFeed posts most...

Felix has a small tool on his website to show me (or anyone else) who likes what I post on my FriendFeed account: less than 1 minute read