Now showing items 1-3 of 3

    • Chemistry in Bioinformatics 

      Murray-Rust, Peter; Mitchell, John B O; Rzepa, Henry S (2005-05-19)
      Chemical information is now seen as critical for most areas of life sciences. But unlike Bioinformatics, where data is Openly available and freely re−usable, most chemical information is closed and cannot be re−distributed ...
    • Scoring functions and enrichment: a case study on Hsp90 

      Konstantinou-Kirtay, Chrysi; Mitchell, John B O; Lumley, James A (2007-01-26)
      Abstract Background The need for fast and accurate scoring functions has been driven by the increased use of in silico virtual screening twinned with high-throughput screening as a method to rapidly identify potential ...
    • Simultaneous feature selection and parameter optimisation using an artificial ant colony: case study of melting point prediction 

      O'Boyle, Noel M; Palmer, David S; Nigsch, Florian; Mitchell, John B O (2008-10-29)
      Abstract Background We present a novel feature selection algorithm, Winnowing Artificial Ant Colony (WAAC), that performs simultaneous feature selection and model parameter optimisation for the development of predictive ...