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Tool to predict drug metabolites?

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Hi there,

is there any ‘standard’ tool to predict drug metabolic products? If any, what limitations does it have?

Thanks!

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3 answers

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jeliazkova.nina [ Editor ] from София, България

Commercial: 

Lhasa' METEOR https://www.lhasalimited.org/meteor/


Free (not open source):
The OECD QSAR Toolbox metabolite simulator 

Open source:
Toxtree 2.5.0  (CYP450 mediated metabolism only, based on SMARTCyp SOM predictions)

Limitations: all models are wrong, but some are useful :)
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