From: "Secretary, ACS Division of Chemical Health and Safety" <secretary**At_Symbol_Here**DCHAS.ORG>
Subject: [DCHAS-L] Free ACS CINF webinar - The Future of the History of Chemical Information
Date: Sat, 11 Nov 2017 12:58:54 -0500
Reply-To: ACS Division of Chemical Health and Safety <DCHAS-L**At_Symbol_Here**PRINCETON.EDU>
Message-ID: 7345AEF1-C9A5-470B-BCFD-48A00657C60B**At_Symbol_Here**dchas.org


From: Wendy Warr <wendy**At_Symbol_Here**warr.com>
Subject: Free ACS CINF webinar
Date: November 11, 2017 at 10:30:50 AM GMT-5

Cheminformatics: Looking Back to the Future
 
Presented by Wendy A. Warr, **At_Symbol_Here**wendyannewarr
Hosted by ACS Publications and ACS Division of Chemical Information

Thursday, November 16: 10:00 AM PST | 1:00 PM EST | 18:00 GMT

 

Abstract: Stealing from the title of a recent book (The Future of the History of Chemical Information, published by ACS Publications), my theme is the future of the history of chemical structure representation and structure search. The major methodologies were already a "done deal" by the 1980s, but we continue to design a better mousetrap, and some new ideas have emerged in the wider field of cheminformatics. So that we are not doomed to repeat our history, we should be well aware of the triumphs of the past, with themes such as:
• Chemical structures: the international language of chemistry.
• =46rom WLNs to InChI.
• Structures and properties; structures and text.
• Databases in-house, public, and open.
• Systems: from CIS/SANSS to New Reaxys and SciFindern.
• =46rom MACCS to JChem/Plexus.
• The Semantic Web.
• Linking in-house and external information.
Cheminformatics now encompasses many other fields (e.g., reactions, ELNs, similarity search, 3D applications, diversity analysis, druglikeness, and virtual screening, to name but a few). Some technologies that have recently enjoyed a revival include synthesis planning and Markush searching. Clearly I have to be highly selective in my themes, but I will mention some other topics of current interest such as "fast search"; validation and standardization of chemical structures; and high performance computing. =46rom all these ideas, can we invent the future?

Registration is free! 
Register Now!

Register to receive a link to view the webinar live. Can't attend live? Complete the registration form to receive a link to a recording after the webinar.

If the link above does not work, please copy and paste this URL into your web browser: 
http://event.on24.com/wcc/r/1528770-1/5657B11B31F4B35CFD38180C92C1B73D

If you have any questions, or want to submit a webinar idea, please contact Michael Qiu, 
M_Qiu**At_Symbol_Here**acs.org, or anyone on the CINF Webinar Steering Committee.


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