Noel O'Blog

Thursday, 25 July 2013

So shall we be social?

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In case you are upset that I ignore your LinkedIn requests, don't follow you back on G+, do not RT your Ts, won't answer your Open B...

A new home for Linux4Chemistry - Part II

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Back in February, I was looking for someone to take over Linux4Chemistry. Thanks to those of you who got in touch. I'm happy to annou...
Saturday, 20 July 2013

Cheminformatics in Science Fiction

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Ever read a science fiction story, or indeed any story, that featured cheminformatics as a major plot point? I've just come across a s...
Sunday, 14 July 2013

Using Open Babel to package chemistry software

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Let's suppose you want to write a piece of C++ code that manipulates molecules to do something or other, and generates an output, either...
Thursday, 20 June 2013

Least Publishable Unit #3: Novel Approach to Pharmacophore Discovery

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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...
Sunday, 16 June 2013

(Almost) Translate the InChI code into JavaScript Part IV

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Readers may remember that I made an attempt to convert the InChI code to Javascript some time ago . Recently MichaƂ Nowotka of the ChEMBL ...
Saturday, 15 June 2013

Are you a Google Reader reader?

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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...
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Noel O'Boyle
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