From owner-chemistry ":at:" ccl.net Mon Sep 9 13:19:00 2013 From: "Jed Zaretzki zaretj*_*gmail.com" To: CCL Subject: CCL: free software for metabolites prediction Message-Id: <-49158-130909114613-14451-bQVNL7jnqiiDfdA/hUKhvg_-_server.ccl.net> X-Original-From: Jed Zaretzki Content-Type: multipart/alternative; boundary=001a1133eaca3cfa1004e5f5491e Date: Mon, 9 Sep 2013 10:46:05 -0500 MIME-Version: 1.0 Sent to CCL by: Jed Zaretzki [zaretj|a|gmail.com] --001a1133eaca3cfa1004e5f5491e Content-Type: text/plain; charset=ISO-8859-1 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===ccl.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> > > -- Jed Zaretzki, Ph.D. Postdoctoral Research Associate Department of Pathology and Immunology Washington University School of Medicine --001a1133eaca3cfa1004e5f5491e Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable
There are two free webservers for predicting CYP-mediated = metabolism on drug-like molecules.
RS-Predictor -=A0http://reccr.chem.rpi.edu/Soft= ware/RS-WebPredictor/
and SMARTCyp -=A0http://w= ww.farma.ku.dk/smartcyp/

Cheers,
Jed Zaretzki


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

Sent to CCL by: Andrew Voronkov [drugdesign##yandex.ru]
Dear CCL users, are you aware of some free software programs (analogs to Me= taCore, MetaSite and MetaDrug for example), which can estimate metabolic tr= ansformations 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 I= mmunology
Washington University School of Medicine --001a1133eaca3cfa1004e5f5491e--