Subject: "Should the Medicinal Chemist have Access to Modeling Tools? Does the Web have the Answer"

From: Bryan Vickery <[email-masked]>
Date: Mon, 16 Feb 1998 14:19:05 -0000

Monday February 16, 1998, London

"Should the Medicinal Chemist have Access to Modeling Tools?
Does the Web have the Answer"

ChemWeb announce their third in a series of Virtual Lectures. The live
event will take place  in ChemWeb's Chemistry Auditorium on Wednesday
February 25, 1998 from 16:00 GMT.  The presentation, given by Dr. Osman
Guner of MSI, will showcase Web-based client server software, WebLab
(TM)  MedChem Explorer (TM), allowing participants real-time hands-on
experience through the Internet.   Conference participants will then be
able to schedule several hours of hands-on access, through a URL
announced during the lecture, to MedChem Explorer (TM).

You can register for the event at

	http://chemweb.vei.co.uk/

Registration and participation is FREE.

Abstract follows:
___________________________________________________________

Abstract

                As medicinal chemists use computers, networks and the
Internet in
                their daily lives, they are expected to be more
productive. In
                addition, there has been an increasing motivation to
have medicinal
                chemists more involved in computational chemistry tasks.
                Computational tools hold the promise of directing
medicinal chemists
                towards compounds with a higher probability of success.
This is
                because computational tools facilitate the rational
decision making
                involved in designing drugs with a desired activity.
Generally,
                medicinal chemists have been collaborating with
molecular modelers
                who use complicated computational tools; however, as the
medicinal
                chemists' computational demands increase, they welcome
the
                opportunity to use these computational tools in their
own
                environment.

                The Internet provides this opportunity. Practically all
pharmaceutical
                companies are now effectively using their corporate
intranet to
                communicate and retrieve information. Web browsers
connected to
                corporate networks have become one of the most important
                productivity tools in the hands of chemists. A modeling
and analysis
                environment that is built on top of this infrastructure
can benefit from
                the familiar interface and paradigm in which medicinal
chemists are
                comfortable.

                It is believed at MSI that successful deployment of
modeling and
                analysis tools to the non-computational chemist is
possible by: 

                     Utilizing existing intranet infrastructure within
corporations 
                     Using Web browsers as the primary tool for
accessing
                     information and performing modeling and analysis
tasks 
                     Establishing a client-server Web environment as
well as a
                     native desktop application 
                     Integrating into the existing corporate informatics
environment
                     Making tools more user-friendly and easy-to-use,
providing an
                     intuitive single task focus for each application. 

                An example for implementation of the above criteria will
be
                showcased with Web-based client server software,
WebLab(tm)
                MedChem Explorer(tm). The provision of access to
UNIX-based
                modeling software (including Cerius2 and Catalyst), as
well as
                corporate databases (such as ISIS, Catalyst, and
Daylight) will be
                discussed. The discussion will also highlight how the
intuitive
                browser-based interface accesses exactly the same tools
used by
                computational chemists, directly from laptops or PCs,
within the same
                environment used for writing reports and spreadsheets as
well as
                accessing the Internet and Email.

                Osman F. Guner

_____________________________________________________________

The lecture will take the form of a one hour slide show with real-time
chat and discussion.
We look forward to welcoming you to the ChemWeb Chemistry Auditorium at
VEI.

** Please post this announcement wherever applicable **

____________________________________________________________

ChemWeb is the World Wide Club for the Chemical Community - Membership
is FREE.
Join us today at http://ChemWeb.com/
________________________________
Bryan A. Vickery
Development Executive - ChemWeb Inc.
Middlesex House
34 - 42 Cleveland Street
London W1P 6LB
http://ChemWeb.com/

T: + 44 171 323 0323
F: + 44 171 436 9293