Subject: Web Chemistry

From: Dean Goddette <[email-masked]>
Date: Tue, 2 Apr 1996 08:46:31 -0600 (CST)

A few weeks ago there was some discussion about Web tools and chemistry.
We (Tripos, Inc.) have recently put on-line one example of how the 
Web can be used for chemistry.

We demonstrate the use of java applets for searches in chemical databases.
The application can be accessed from:

Tripos home page:  http://www.webcom.com/~tripos2
Silicon Graphics:  http://www.sgi.com/ChemBio (under What's New)

Please check it out and sent us your comments. All feedback is welcome. 

We wish to thank Chapman & Hall, Derwent, and Current Drugs for their
permission  to use subsets of their databases for this demo;
and Silicon Graphics for their assistance and for their cooperation
in providing access to their web servers, making this application 
available worldwide.

------------------------------------------------------------------------------
Dean Goddette, Ph.D.
Senior Product Manager
TRIPOS, Inc., 1699 S. Hanley Road, St. Louis, MO 63144
ph.  (314) 647-1099 X3386          fax: (314) 647-9241

Tripos Delivers Chemical Expertise to the Web

Tripos has created a chemical searching application based on Web
technology. We believe that Web technologies offer an effective means to
provide access to design tools on a range of hardware platforms such as
Mac's and PC's. This application is the first step in delivering the
molecular design and analysis expertise of Sybyl and UNITY at the desktop. 

To separate reality from hype, we built an application called 
"Sketch and Fetch" which is now available on the web with access from 
multiple sites including the Tripos homepage (www.webcom.com/~tripos2)
and under What's New on the Silicon Graphics ChemBio page 
(www.sgi.com/ChemBio).

"Sketch & Fetch" is a Web-based application built with Java applets. 
Sketch & Fetch provides a simple WebSketcher(tm) to (1) enter a 2D query,
(2) choose a UNITY database and (3) initiate a search. Structures matching
the query are returned and displayed in a 3D viewer in the page (also a
Java applet).  The structures can be rotated and manipulated. 

Subsets from three commercial databases are on-line for searching --
Chapman & Hall, Current Drugs and Derwent's WDI. Hyperlinks provide
information about each of the databases. The complete databases (and 
others) are available in UNITY format from Tripos.

"Sketch and Fetch" requires Java and was developed using Netscape
Navigator(tm) 2.0. Navigator 2.0 is available for most platforms
and can be downloaded from their web page (www.netscape.com).  Other
Java-capable browsers may also work. A user without a Java-capable Browser
is given a description of the applet's function but cannot use the
sketcher. 

I encourage you to give this application a try and let us know what you
think. Participants who register are eligible for a prize drawing.
Comments and inquiries can be made directly from the web page or can be
sent directly to the Database Product Manager, Sheila Ash
([email-masked]). 

This application is the first step in delivering the drug design expertise
of Sybyl and UNITY at the desktop using web technology.  Tripos would like
to thank Silicon Graphics for their assistance and for their cooperation
in providing access to their web servers, making this application available
worldwide; Derwent, Chapman and Hall and Current Drugs for allowing us 
to make a subset of their data available on-line.
 
------------------------------------------------------------------------------
Dean Goddette, Ph.D.
Senior Product Manager
TRIPOS, Inc., 1699 S. Hanley Road, St. Louis, MO 63144
ph.  (314) 647-1099 X3386          fax: (314) 647-9241
[email-masked]

Sketch & Fetch:    http://www.sgi.com/ChemBio (under What's New)
Tripos Home Page:  http://www.webcom.com/~tripos2
Sheila Ash e-mail: [email-masked]