Now showing items 2-4 of 4

    • Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on 

      O'Boyle, Noel M.; Guha, Rajarshi; Willighagen, Egon L.; Adams, Samuel E.; Alvarsson, Jonathan; Bradley, Jean-Claude; Filippov, Igor V. et al. (2011-10-14)
      Abstract Background The Blue Obelisk movement was established in 2005 as a response to the lack of Open Data, Open Standards and Open Source (ODOSOS) in chemistry. It aims to make it easier to carry out chemistry research ...
    • Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on 

      O'Boyle, Noel M.; Guha, Rajarshi; Willighagen, Egon L.; Adams, Samuel E.; Alvarsson, Jonathan; Apodaca, Richard L.; Bradley, Jean-Claude et al. (Murray-Rust group, Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, 2011-06-04)
      Background: The Blue Obelisk movement was established in 2005 as a response to the lack of Open Data, Open Standards and Open Source (ODOSOS) in chemistry. It aims to make it easier to carry out chemistry research by ...
    • Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse 

      Carlsson, Lars; Spjuth, Ola; Adams, Sam; Glen, Robert C.; Boyer, Scott (2010-07-01)
      Abstract Background Predicting metabolic sites is important in the drug discovery process to aid in rapid compound optimisation. No interactive tool exists and most of the useful tools are quite expensive. Results Here a ...