CCL: tautomerism software
- From: Lothar Terfloth
<lothar.terfloth|-|molecular-networks.com>
- Subject: CCL: tautomerism software
- Date: Thu, 28 Aug 2008 09:06:29 +0200
Sent to CCL by: Lothar Terfloth [lothar.terfloth*molecular-networks.com]
Dear Arindam,
I would suggest to consider our software Tautomer for this purpose.
More detailed information about Tautomer is available at the URL:
http://www.molecular-networks.com/software/tautomer/index.html
Demo-versions of Tautomer are available for evaluation from our
download area (http://www.molecular-networks.com/php/profile.php).
Tautomer explicitly enumerates the tautomers.
The following types of tautomerism are supported:
* keto-enol and thioenol exchange
* imine exchange
* nonsubstitued heteroaromatic exchange
* hetero atom hydrogen exchange
* keten / inol exchange
* nitro form / aci form of nitro compounds
* nitroso / oxim exchange
* cyanuric acid, formamidinsulfon acid, hydrogen cyanide
With best regards,
Lothar Terfloth
Arindam Ganguly arindamganguly###gmail.com wrote:
Sent to CCL by: "Arindam Ganguly" [arindamganguly|gmail.com]
Dear CCL users,
Is there any software out there which can predict the possibility of tautomerism
being present in a molecule. Any suggestions and pointers will be really
helpful. Thanks in advance.
Arindam
--
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Dr. Lothar Terfloth Tel. +49-9131-9790623
Molecular Networks GmbH Fax: +49-9131-815 669
Henkestr. 91
D-91052 Erlangen
Germany
email: Lothar.Terfloth.^.mol-net.com
www: http://www.mol-net.com
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