Noel O'Blog

Almost exactly 6 months ago, I took over the leadership of the Chemical Biology Services team at EMBL-EBI, Hinxton, UK. This is the team th...

Next week I wlil be attending the Computer Aided Drug Design Gordon Research Conference (CADD GRC) in the US (Maine). The last (and only)...

I was reading over my recent blogpost on MMPA when I started wondering whether the approaches I described actually were the best ways of fi...

SmiZip is a compressor for SMILES strings that uses the unused characters from the extended ASCII set. So, for example, while the character...

An efficient approach to Matched Molecular Pair Analysis (MMPA) consists of fragmenting molecules at a subset of single bonds and then colla...

Introducing ReplaceR , a webapp that suggests R group or linker replacements that a medicinal chemist might consider making after the query...

A while back , I wrote a library called partialsmiles to parse and validate prefixes of SMILES strings. I've just updated it with a min...