Now showing items 1-2 of 2

    • Cinfony - combining Open Source cheminformatics toolkits behind a common interface 

      O'Boyle, Noel M.; Hutchison, Geoffrey R. (2008-12-03)
      Abstract Background Open Source cheminformatics toolkits such as OpenBabel, the CDK and the RDKit share the same core functionality but support different sets of file formats and forcefields, and calculate different ...
    • 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 ...