Subject: RE>CCL:Synthesis design

From: Harold Helson <[email-masked]>
Date: Wed, 30 Nov 1994 10:11:55 +0000

Date	11/30/94
Subject	RE>CCL-Synthesis design
>From	Harold Helson
To	Robert K  Szilagyi, Dimitris Agrafiotis
CC	chemistry

        Reply to:   RE>CCL:Synthesis design
Another program is CAMEO, on which I worked as a graduate student.  It 
operates in the forward (as opposed to retrosynthetic) direction, predicting 
the products of organic reactions given starting materials and conditions.   
For further information contact Professor William Jorgensen at [email-masked].
yale.edu.

Harold Helson

--------------------------------------
Date: 11/29/94 3:02 PM
To: Harold Helson
>From: Dimitris Agrafiotis
>From: "Dimitris Agrafiotis" <[email-masked]>
Message-Id: <[email-masked]>
Date: Tue, 29 Nov 1994 14:51:45 -0500
In-Reply-To: "Robert K. Szilagyi" <[email-masked]>
        "CCL:Synthesis design" (Nov 29,  5:39pm)
To: "Robert K. Szilagyi" <[email-masked]>
Subject: CCL:Synthesis design
Cc: [email-masked]
Sender: Computational Chemistry List <[email-masked]>

On Nov 29,  5:39pm, Robert K. Szilagyi wrote:
> Subject: CCL:Synthesis design
> Dear Netters,
>
> 	we are looking for expert systems in synthesis design, more precisely,
> retro- and non-retro-synthetic databases, management softwares. They should

be
> applicable in education and in research, too. If possible, please attach the

> name of the software, price and the mailing address of producer company to
> your query.
> 	Any experienced user's comments are welcome!

There are a few around, but the most advanced is LHASA (Logic and Heuristics
Applied to Synthetic Analysis) out of EJ Corey's group at Harvard. For more
information, contact:

Dr. Alan Long
Director
Department of Chemistry
Harvard University
12 Oxford Street
Cambridge, MA 02138
tel: (617) 495-4283
e-mail: [email-masked].

or EJ himself at the same address. Please let me know if you need more
information or can't get through to Alan.

Ciao,

-- 
Dimitris K. Agrafiotis, PhD             | e-mail: [email-masked]
3-Dimensional Pharmaceuticals, Inc.     | tel:    (215) 222-8950
3700 Market Street                      | fax:    (215) 222-8960
Philadelphia, PA 19104

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