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Showing 1 to 1 of 1 for “"MetaPrint2D"”.
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Molecular Similarity and Xenobiotic Metabolism
MetaPrint2D, a new software tool implementing a data-mining approach for predicting sites of xenobiotic metabolism has been developed. The algorithm is based on a statistical analysis of the occurrences of atom centred circular fingerprints in both substrates and metabolites. This approach has …