PharmPC Discussion - Chem Draw software

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On 25 Jan 1996 at 13:41:13, Prasad Tata (Prasadt.at.OTSUKA.OAPI.COM) sent the message


Hello,

I was wondering whether anyone can suggest me a software that gives
the IUPAC name when we draw a chemical structure of compound.

I think it would be a good software in identifying and giving a proper
name for the metabolites and investigational drugs.

Prasad Tata.

Metabolism: I always wonder why a small change in drug molecule
changes the Pharm/tox properties so much.

from: Prasad Tata

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On 26 Jan 1996 at 10:45:12, "Steve J. Bannister" (0004828598.at.mcimail.com) sent the message


Prasad,

Advanced Chemistry Development has announced such a system.  They're a
Canadian software firm with Windows applications that predict logP
(octanol/water partition coef), and both C&H NMR spectra from drawings.
I've used the demo programs for drawing and logP prediction, and like
the drawing facility very much. Have not evaluated the accuracy of the
logP estimation, but assume it uses conventional LFER's.  I don't have
the contact info with me right now, if no one else on the list provides
it, I'll post it tomorrow from my office.

Steve

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On 29 Jan 1996 at 13:38:17, YurLag.at.aol.com sent the message


Hi!
To your question about a software...
I believe that Chemistry 4D Draw by Chem Innovation Software USA
 (phone: 619-566-2846; fax: 619-566-4138) does it.
I personally have not used this software. I just've  read its description.
Hope that this info will be of any help to you.

Yury Lagoviyer.

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