Dr. Noel O'Boyle is a cheminformatician and computational chemist interested in the prediction of physical, chemical or biological properties of small molecules. He is a Senior Software Engineer at NextMove Software in Cambridge, UK.

To read more about my research interests use the menu on the left. To contact me, send an email to baoilleach@gmail.com or noel@nextmovesoftware.com.

Sept 2012

I joined Roger Sayle's cheminformatics startup, NextMove Software, which is based in Cambridge, UK. [Read more]

Sept 2012

My paper on Universal SMILES has been published.

Oct 2011

Open Babel 2.3.1 released. Along with the first publication describing Open Babel (1400 accesses in first two weeks).

Aug 2011

I gave a talk showing how Open Babel could be used to find errors or ambiguities in large databases at the 5th Meeting on U.S. Government Chemical Databases and Open Chemistry (Frederick, Maryland).

July 2011

Paper on Computational Design and Selection of Optimal Organic Photovoltaic Materials now in press. It has also been accepted for the front cover of the Aug 18th issue.

May 2011

Presented Cinfony at Molecular Informatics Open Source Software.

Mar 2011

Paper on Confab - Systematic generation of diverse low-energy conformers just published

Mar 2011

Open Babel Book now available for purchase

Oct 2010

Release of Open Babel 2.3

Sep 2010

The GaussSum/cclib paper was the second most-cited paper in the Journal of Computational Chemistry in 2009 (number one was the CHARMM force-field)

Apr 2010

Awarded the Chemical Structure Association Jacques-Émile Dubois Grant