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Metabolite prediction software tools | Drug discovery data analysis

Metabolite prediction software tools | Drug discovery data analysis

Predictions of potential metabolites based on chemical structure are becoming increasingly important in drug discovery to guide medicinal chemistry efforts that address metabolic issues and to support experimental metabolite screening and identification.

Source text:
(Ridder and Wagener, 2008) SyGMa: combining expert knowledge and empirical scoring in the prediction of metabolites. ChemMedChem.

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