CCL: free software for metabolites prediction

[Jed Zaretzki <zaretj(-)gmail.com>]

There are two free webservers for predicting CYP-mediated metabolism on drug-like molecules.

RS-Predictor - http://reccr.chem.rpi.edu/Software/RS-WebPredictor/

and SMARTCyp - http://www.farma.ku.dk/smartcyp/

Cheers,

Jed Zaretzki

On Mon, Sep 9, 2013 at 1:08 AM, Andrew Voronkov drugdesign[A]yandex.ru <owner-chemistry==Ìl.net> wrote:

Sent to CCL by: Andrew Voronkov [drugdesign##yandex.ru]
Dear CCL users, are you aware of some free software programs (analogs to MetaCore, MetaSite and MetaDrug for example), which can estimate metabolic transformations and metabolism products for the small molecules?

Best regards,
Andrew



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--
Jed Zaretzki, Ph.D.
Postdoctoral Research Associate
Department of Pathology and Immunology
Washington University School of Medicine