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Fig. 9 | Chemistry Central Journal

Fig. 9

From: RD-Metabolizer: an integrated and reaction types extensive approach to predict metabolic sites and metabolites of drug-like molecules

Fig. 9

Prediction of SOMs and metabolites for AZD9291 and comparison of the integrated prediction performance of RD-Metabolizer and MetaPrint2D-React. a The experimental metabolism data of AZD9291. b The predicted results are generated by RD-Metabolizer. c The predicted results are generated by MetaPrint2D-React. The sites with metabolic probability ranging from 0.33 to 1.00 are labeled by color-coded circles and the corresponding values of metabolic probability are also labeled on the structure. The correctly predicted metabolites are marked with a red border and the width of the arrows indicates the metabolic probability scale of sites in the molecule

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BMC Chemistry

ISSN: 2661-801X

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