Tool to predict drug metabolites?

3 answers

**nina [ Editor ] from София, България** Nov 11, 2011 (Edited Nov 16, 2011)

Commercial:

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

Free (not open source):

The OECD QSAR Toolbox metabolite simulator

http://www.oecd.org/document/54/0,3746,en264934379429236381111,00.html

Open source:

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

http://toxtree.sourceforge.net/download.html#Toxtree2.5.0

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

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**Matteo Floris [ Editor ] from Trevi, Italia** Nov 11, 2011 (Edited Nov 16, 2011)

Commercial:

http://www.molecular-networks.com/outoftheboxsolutions#metabolism

NN comments

**Fredrik Wallner [ Editor ] from Sverige** Nov 11, 2011 (Edited Nov 16, 2011)

There’s also MetaPrint2D, also available as a Bioclipse plugin. I don’t think the Bioclipse plugin is capable of predicting products though, just sites of metabolism.

NN comments

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**nina [ Editor ] from София, България** Nov 11, 2011 (Edited Nov 16, 2011)

**Matteo Floris [ Editor ] from Trevi, Italia** Nov 11, 2011 (Edited Nov 16, 2011)

**Fredrik Wallner [ Editor ] from Sverige** Nov 11, 2011 (Edited Nov 16, 2011)

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Tool to predict drug metabolites?

3 answers

nina [ Editor ] from София, България Nov 11, 2011 (Edited Nov 16, 2011)

Matteo Floris [ Editor ] from Trevi, Italia Nov 11, 2011 (Edited Nov 16, 2011)

Fredrik Wallner [ Editor ] from Sverige Nov 11, 2011 (Edited Nov 16, 2011)

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**nina [ Editor ] from София, България** Nov 11, 2011 (Edited Nov 16, 2011)

**Matteo Floris [ Editor ] from Trevi, Italia** Nov 11, 2011 (Edited Nov 16, 2011)

**Fredrik Wallner [ Editor ] from Sverige** Nov 11, 2011 (Edited Nov 16, 2011)