Department of Chemistry

Murray-Rust Research Group

Nick Day

I did my PhD in the Murray-Rust group titled 'Automated Analysis and Validation of Open Chemical Data', which focused on investigating new methods in chemical publishing using Semantic Web technologies and automating processes to find new science in electronic chemical literature. During this time I created CrystalEye which aggregates, semantifies and republishes crystallographic data found on the Web (using the Semantic Web technologies, naturally!).

Subsequently I stayed on as a post-doc and worked on the projects: TheOREm, OREChem and CLARION.


Contents

My todo list before leaving

Papers

  • write CrystalEye
  • reply to comments on CIFXML paper

Communication

  • talk with / find PMR's free dates for IUCr meeting
  • organise meeting with IUCr
  • contact B O'Steen about pub-crawler w.r.t use in OpenBiblio and poss organise telcon/meeting when he's around

Code

  • CLARION - x-ray adapter [3 2 1 days]
  • OREChem - write Gaussian2RDF [3 days]
  • move CrystalEye to bitbucket
  • if have time after finishing CrystalEye paper, tidy up CrystalEye code and documentation

Documentation

  • readme.txt and minor code level docos for pub-crawler [0.5 days]
  • readme.txt and doco for CLARION's xray-adapter [0.5 days]