Subject: 3D Net search summary and additional questions

From: <[email-masked]>
Date: Sun, 29 Jan 1995 11:09:43 -0500 (EST)

Greetings,

As promissed, I have included a summary of responses to my question about
internet 3D searches. The summary (attached at the end of this message)
only contains responses that actually gave some information. Most of the
responses I got were:'please summerize' I have however, some additional
questions before I post the summary.

>From the responses it is clear that there are very little databases that
can be searched from a remote site. This I find a bit surprizing since
I believe that the technology is there. Now I can think of several
possible reasons why there are so little remote sites but I am interested
in what other people think of it.
Here are some of the reasons I could think of:

- Security risks. Sending files of molecules that are potential drugs over
  the Internet might not be very safe. This could however be avoided
  perhaps by sending files per courier to the remote site.

- Profits. Companies that sell large databases would rather sell one
  at several thousand $$ than having to charge much less on a per search
  basis.

- Technology. To send compounds that have been modelled to represent the
  (believed) minimum energy structure over the Net is not possible. I do
  not know. I have not tried it yet.

- Payment methods. Methods to pay for services over the Net is still not
  perfect and we'll have to wait until this is perfected. (but what about
  credit cards?)

The reason I am interested in remote site database searches is because
BioMimic feels that there is a place for 'out-house' molecular modelling.
However, to invest in several large databases is too expensive and
therefore the question about structure searches from a remote site.

One last question before I post the summary. My question was directed to
3D searches and since the response was minimal, does anyone know about
2D 'remote' searches?

Patrick

 **************************************************************************
** Patrick van der Valk M.Sc.   | It is a capital mistake to theorize     *
** BioMimic                     | before one has data. Insensibly one     *
**                              | begins to twist facts to suit theories  *
** e-mail:[email-masked] | instead of theories to suit facts.      *
** Phone: (416) 736-5747        |                                         *
** Fax: (416) 650-3558          |                 -Sherlock Holmes-       *
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From:IN%"[email-masked]"
To:IN%"[email-masked]"
CC:IN%"[email-masked]"
Subj:Cambridge Structural Database at CISTI, NRC

Patrick,
        IIbelieve that people at CISTI, NRC Ottawa would be all too happy
to charge you to carry out a search.
Their number is (613)993-1600
You can ask to speak to either:
Dr. Roger Gough
or
Dr. John Rogdgers
they both know how to run a search in this database.
If I can be of further help please let me know
By the way what is 'Biomimic'?
Carlos

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From:IN%"[email-masked]"  "Computational Chemistry"
To:IN%"[email-masked]"
CC:
Subj:RE: CCL:Structure searches though the Interne - Reply

I would be interested in a summary.

There are cystallagraphic databases available at CAN/SND for a fee.
Send a note to [email-masked] for more info.

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From:IN%"[email-masked]"  "Brian Karlak"
To:IN%"[email-masked]"
CC:
Subj:RE: CCL:Structure searches though the Internet

You might want to contact Daylight software in New Mexico, USA at 
(505)989-1000. Last I heard, they had a service called Mjollnir
(it's the name of Thor's hammer) that allowed remote database searches.
I don't know if it's 3-D or not.

Brian Karlak
Computational Chemist
Onyx Pharmaceuticals

"Update all information.  Pod into cosmos."

Jeffffff  aid it.
i believe it.
That settles it.
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