Predicts xenobiotic metabolism through data-mining and statistical analysis of known metabolic transformations. Two versions of the tool are available: MetaPrint2D (which predicts sites of phase I metabolism, defined as the addition of oxygen or elimination reactions) and MetaPrint2D-React (which can make predictions concerning a wider range of reactions, and is able to predict the types of transformation that can take place at ease site of metabolism, and the likely metabolite formed.)
Safety Assessment, AstraZeneca Research & Development, Mölndal, Sweden; Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden; Unilever Centre for Molecular Sciences Informatics, University Chemical Laboratory, Cambridge, UK
MetaPrint2D funding source(s)
This work was supported by AstraZeneca R&D; the Swedish VR (04X-05957); Uppsala University (KoF 07); Boeringer-Ingelheim and Unilever.