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Figure 2 | BMC Bioinformatics

Figure 2

From: Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse

Figure 2

MetaPrint2D in Bioclipse showing a prediction on the drug Verapamil. Screenshot from Bioclipse with the results from a MetaPrint2D calculation on the drug Verapamil using the Standard search mode and the database ALL. Atoms coloured in red indicates a high likelihood of metabolism occurring at that site, yellow indicates medium, green low, and no colouring indicates very low or no likelihood of metabolism occurring at that site. Hovering over an atom reveals a tooltip showing the number of hits in the reaction centre set, the total number of hits, and the normalised ratio.

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