From owner-chemistry@ccl.net Wed Dec 5 21:51:00 2007 From: "Antony Williams tony]![chemspider.com" To: CCL Subject: CCL: Looking for a structure to name conversion software Message-Id: <-35773-071205214645-7530-GdSaKIKxV14bemziIfyCTA{}server.ccl.net> X-Original-From: "Antony Williams" Content-class: urn:content-classes:message Content-Type: multipart/alternative; boundary="----_=_NextPart_001_01C837A8.F39F0960" Date: Wed, 5 Dec 2007 20:38:25 -0500 MIME-Version: 1.0 Sent to CCL by: "Antony Williams" [tony!A!chemspider.com] This is a multi-part message in MIME format. ------_=_NextPart_001_01C837A8.F39F0960 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: quoted-printable I am presently involved in writing a book chapter regarding Name to Structure conversion. Dennis, would you please contact me offline to discuss the objective criteria you used to compare the three products. Thanks=20 =20 Antony Williams, Host of ChemSpider (www.chemspider.com ) =20 Phone: (919) 341-8375 Mobile: (919) 201-1516 Fax: (919) 300 5321=20 Email: antony.williamsATchemspiderDOTcom =20 CONFIDENTIALITY NOTICE Unless expressly stated otherwise, this message is confidential and is intended for the addressee(s) only. If you are not an addressee, please inform the sender immediately or contact feedback!^!chemspider.com . ________________________________ > From: owner-chemistry!^!ccl.net [mailto:owner-chemistry!^!ccl.net]=20 Sent: Wednesday, December 05, 2007 9:41 AM To: Antony Williams Subject: CCL: Looking for a structure to name conversion software =20 The options for converting names to structures are three companies/products: =20 1. ACD has a batch program. 2. Cambridgesoft has a batch program. 3. OpenEyes has a product LexiChem. =20 =20 I evaluated all three in 2006 and preferred Lexichem. =20 =20 I am unaware of any free software. =20 =20 -- Dennis=20 =20 Dennis G. Sprous, PhD Chemoinformatics/Computational Chemistry RedPointBio Inc. 7 Graphics Drive Ewing NJ 08628 609-637-9700 ________________________________ > From: owner-chemistry.:.ccl.net [mailto:owner-chemistry.:.ccl.net]=20 Sent: Wednesday, December 05, 2007 8:02 AM To: Dennis Sprous Subject: CCL: Looking for a structure to name conversion software =20 ChemOffice may do that better, but it is commerical software. On Nov 16, 2007 6:39 PM, drmsaravanan=3Daim.com = wrote: Hi All, Is there any tool to convert 1000 structures to name at a stretch? it would be better if it is available freely. regards, M. Saravanan ________________________________ Check Out the new free AIM(R) Mail -- Unlimited storage and industry-leading spam and email virus protection. --=20 Arthur J. Wang Shenyang Pharmaceutical University P.O. Box 40 103 Wenhua Road, Shenhe District Shenyang,110016, P. R. China=20 Tel : +86 24 23986419 Fax: +86 24 23995043=20 E-Mail: wjmed(~)126.com ;=20 computationalboy(~)gmail.com=20 ------_=_NextPart_001_01C837A8.F39F0960 Content-Type: text/html; charset="us-ascii" Content-Transfer-Encoding: quoted-printable

I am presently involved in writing = a book chapter regarding Name to Structure conversion. Dennis, would you please contact me offline to discuss the objective criteria you used to compare = the three products. Thanks

 

Antony Williams,
Host of ChemSpider
= (www.chemspider.com)

 

Phone: (919) 341-8375

Mobile: (919) 201-1516

Fax: (919) 300 5321 
Email:
= antony.williamsATchemspiderDOTcom

 

CONFIDENTIALITY = NOTICE

Unless = expressly stated otherwise, this message is confidential and is intended for the = addressee(s) only.

If you are not = an addressee, please inform the sender immediately or contact = feedback!^!chemspider.com.


From: owner-chemistry!^!ccl.net [mailto:owner-chemistry!^!ccl.net]
Sent: Wednesday, December = 05, 2007 9:41 AM
To: Antony Williams
Subject: CCL: Looking for = a structure to name conversion software

 

The options for converting names to structures are three companies/products:

 

  1. ACD has a batch program.
  2. Cambridgesoft has a batch program.
  3. OpenEyes has a product LexiChem. 

 

I evaluated all three in 2006 and preferred Lexichem. 

 

I am unaware of any free = software. 

 

-- Dennis =

 

Dennis G. Sprous, = PhD

Chemoinformatics/Computational = Chemistry

RedPointBio Inc.

7 Graphics Drive Ewing NJ 08628

609-637-9700


From: owner-chemistry.:.ccl.net [mailto:owner-chemistry.:.ccl.net]
Sent: Wednesday, December = 05, 2007 8:02 AM
To: Dennis Sprous
Subject: CCL: Looking for = a structure to name conversion software

 

ChemOffice may = do that better, but it is commerical software.

On Nov 16, 2007 6:39 PM, drmsaravanan=3Daim.com <owner-chemistry(~)ccl.net = > wrote:


Hi All,

Is there any tool  to convert 1000 structures to name at = a stretch? it would be better if it is available freely.

regards,

M. Saravanan


Check Out the new = free AIM(R) Mail -- Unlimited storage and industry-leading spam and = email virus protection.




--
Arthur J. Wang
Shenyang Pharmaceutical University P.O. Box = 40
103 Wenhua = Road, Shenhe District
Shenyang,110016, P. R. China
Tel : +86 24 23986419
Fax: +86 24 23995043
E-Mail:  wjmed(~)126.com ; =
     computationalboy(~)gmail.com=

------_=_NextPart_001_01C837A8.F39F0960--