From owner-chemistry- at -ccl.net Mon Nov 28 11:09:02 2005 From: "sri ram sri.boppana(_)gmail.com" To: CCL Subject: CCL: STRUCTURES TO SMILES Message-Id: <-30093-051128031250-9961-eaCd3yCVC/oj2NT8keVtZw-*-server.ccl.net> X-Original-From: sri ram Content-Type: multipart/alternative; boundary="----=_Part_39082_9806008.1133158660002" Date: Mon, 28 Nov 2005 11:47:40 +0530 MIME-Version: 1.0 Sent to CCL by: sri ram [sri.boppana(a)gmail.com] ------=_Part_39082_9806008.1133158660002 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Content-Disposition: inline "There is no relationship between a CAS name and its structure - it's just an index into the CAS database" This is wrong. I think that CAS index name and CAS registry numbers have got confused. A CAS name is very related to the structure of the compund Sriramamurthy.Boppana CambridgeSoft (Q3 Tech.India) On 11/26/05, M. Nicklaus mn1-.-helix.nih.gov wrote: > > Sent to CCL by: "M. Nicklaus" [mn1!^!helix.nih.gov] > Check out: > > http://cactus.nci.nih.gov/services/translate/ > > Marc Nicklaus > > > On Fri, 25 Nov 2005, ragubalaji n ragubalaji_._gmail.com wrote: > > > Sent to CCL by: "ragubalaji n" [ragubalaji::gmail.com] > > Hi all, > > > > I am looking for tool where SMILES strings can be generated > from structures or connectivity tables. Could anybody tell me where I c= an > find it? > > Thank you very much. > > > > ragu > > Bangalore > > ragubalaji[#]gmail.com> > > > > > > -=3D This is automatically added to each message by the mailing script = =3D-> > > > -- ram ------=_Part_39082_9806008.1133158660002 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Content-Disposition: inline "There is no relationship between a CAS name and its structure - it's = just an index into the CAS database"

This is wrong.
I think that CAS index name and CAS registry numbers have got confused.
A CAS name is very related to the structure of the compund

Sriramamurthy.Boppana
CambridgeSoft (Q3 Tech.India)

On 11= /26/05, M. Nicklaus mn1-.-helix.nih.gov < owner-chemistry##ccl.net> wrote:
Sent to CCL by: "M. Nicklaus" [mn1!^!= helix.nih.gov]
Check out:

http://cactus.nci.nih.gov/services/translate/

Marc Nicklaus=


On Fri, 25 Nov 2005, ragubalaji n ragubalaji_._gmail.com wrote:

> Sent to CCL by: "ragubalaji  n" [ragubalaj= i::gmail.com]
> Hi all,
>
&= gt; I am looking for tool where SMILES strings  can be generated > from  structures or connectivity tables.  Could anybody tell me where I can find it?
> Thank you very much.
>> ragu
> Bangalore
> ragubalaji[#]gmail.com>
>


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ram ------=_Part_39082_9806008.1133158660002--