Noel O'Blog

Here's an idea I had towards the end of my last postdoc, but only played around with it a little bit. It relates to the pharmacophore se...

Readers may remember that I made an attempt to convert the InChI code to Javascript some time ago . Recently Michał Nowotka of the ChEMBL ...

If you are using Google Reader to read this, you have under three weeks to migrate to another platform ( Feedly looks like a good bet) befo...

Open Babel uses CTest for its testing. While admittedly fairly basic, its integration with the CMake build system and its support for dashb...

Here's a little trick I came up with during my PhD to help figure out which resonance Raman peaks corresponded to which when comparing a...

When I were a lad, there weren't many Open Source cheminformatics toolkits out there. Things are different nowadays - you can't navi...

After a certain length of time, there comes a point when you realise that that idea of yours you always planned to pursue, well, you're ...