Now showing items 1-10 of 15
Themed series in organo-fluorine chemistry
(2008-04-25) - Journal item,
Synthesis of phosphonate and phostone analogues of ribose-1-phosphates
(2009-07-27) - Journal article,
The synthesis of phosphonate analogues of ribose-1-phosphate and 5-fluoro-5-deoxyribose-1-phosphate is described. Preparations of both the alpha- and beta-phosphonate anomers are reported for the ribose and 5-fluoro-5-deoxyribose ...
Iso-seco-tanapartholides : isolation, synthesis and biological evaluation
(2009-11) - Journal article,
The isolation, identification and total synthesis of two plant-derived inhibitors of the NF-kappa B signaling pathway from the iso-seco-tanapartholide family of natural products is described. A key step in the efficient ...
Three step synthesis of single diastereoisomers of the vicinal trifluoro motif
(2009-11-05) - Journal article,
A three step route to single diastereoisomers of the vicinal trifluoromethyl motif is described. The route starts from either syn- or anti-alpha,beta-epoxy alcohols and takes a direct approach in that each of the three ...
Communication and re-use of chemical information in bioscience
(2005-07-18) - Journal item,
The current methods of publishing chemical information in bioscience articles are analysed. Using 3 papers as use-cases, it is shown that conventional methods using human procedures, including cut-and-paste are time-consuming ...
Scoring functions and enrichment : a case study on Hsp90
(2007-01-26) - Journal article,
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 candidates ...
Chemistry in Bioinformatics
(2005-06-07) - Journal article,
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 ...
CMLSnap : Animated reaction mechanisms
(2004-10-26) - Journal article,
Reactions with many steps can be represented by a single XML-based table of the atoms, bonds and electrons. For each step the complete Chemical Markup Language 1 representation of all components is obtained and a snapshot ...
Identification of 2-aminothiazole-4-carboxylate derivatives active against Mycobacterium tuberculosis H37Rv and the beta-ketoacyl-ACP synthase mtFabH
(2009-05-19) - Journal article,
Background: Tuberculosis (TB) is a disease which kills two million people every year and infects approximately over one-third of the world's population. The difficulty in managing tuberculosis is the prolonged treatment ...
Simultaneous feature selection and parameter optimisation using an artificial ant colony : case study of melting point prediction
(2008-10-29) - Journal article,
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 quantitative ...