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Subject: [DCHAS-L] Lab Safety and Industrial Hygiene Officer Position
Date: Saturday, February 20, 2021 at 11:30:03 AM
Author: Kristi Ohr <kohr**At_Symbol_Here**UMASS.EDU> 		Next by Date:
Subject: [DCHAS-L] Chemical Safety headlines (13 articles)
Date: Mon, 22 Feb 2021 06:49:13 -0500
Author: CHAS imap account

From: CHAS imap account <membership**At_Symbol_Here**DCHAS.ORG>
Subject: [DCHAS-L] [CHMINF-L] NIH Virtual Workshop on InChI, March 22-24,2021
Date: Sun, 21 Feb 2021 06:26:49 -0500
Reply-To: ACS Division of Chemical Health and Safety <DCHAS-L**At_Symbol_Here**Princeton.EDU>
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From: Steve Heller <steve**At_Symbol_Here**hellers.com>
Subject: [CHMINF-L] NIH Virtual Workshop on InChI, March 22-24,2021
Date: February 20, 2021 at 4:50:41 PM GMT-5

Click to Register for the NIH Virtual Workshop on InChI, March 22-24, 2021
 
A major theme emerging from the December 2020 NIH Workshop on Ultra Large Chemistry Databases is the essential role of the IUPAC International Chemical Identifier (InChI) in our ability to link and query across large and diverse chemistry data resources.  Therefore, we now seek to bring the chemistry community together for an update on the development of the InChI and a discussion of its use in  chemistry, biochemistry, and related research domains, at the NIH Virtual Workshop on InChI, March 22-24, 2021.  Speakers will report on developments in the InChI field, usage of InChI in their organization, as well as challenges and areas not yet covered by InChI.  The virtual workshop is scheduled for three half-days on March 22-24, from 11 AM- 3PM EST and will include short talks and panel discussions.  Registration is free. 

Preliminary list of speakers:

Steve Heller
NLM/NCBI/PubChem Project
A Brief History of InChI
Ray Boucher
InChI Trust/Wiley
The IUPAC Chemical Structure Standard - Vision and Future
Gerd Blanke
StructurePendiumTechnologies GmbH
Reaction InChI (RInChI) - What's Next?
Leah McEwen
Cornell University
MInChI
Marc Nicklaus
NCI,  NIH
Tautomers in InChI
Bob Belford
UA Little Rock
InChI Open Education Resource (OER)
Jonathan Goodman
University of Cambridge
InChI with Markush Variations
Iseult Lynch
Univeristy of Birmingham
Towards an InChI for Nanomaterials
Jeremy Frey
University of Southampton
Linking the Physical and Digital: QR Codes and the InChI
Markus Sitzmann
FIZ Karlsruhe
The InChI Resolver and its Protocol
Richard Kidd
RSC/InChI Trust
Towards Open-source Development for InChI
Yulia Borodina
FDA
Usage of InChI in SPL Substance Indexing files
Lutz Weber
OntoChem GmbH
Using InChI and RInChI for Registering Compound and Reactions Extracted from Literature
Istv=C3=A1n =C5=90ri
ChemAxon
Integrating InChI and RInChI Native Libraries into Java Applications
Patricia Bento
EMBL-EBI
InChI Applications in ChEMBL
Peter Linstrom
NIST
Practical Applications of InChI
John Mayfield
NextMove Software
Data Compression of InChIKeys and 2D Coordinates
Roger Sayle
NextMove Software
InChI on Wikipedia: Why Many Compounds Have More Than One InChI
Tony Willams
EPA
The CompTox Chemicals Dashboard and Using InChI as a Mapping Identifier
Connor Coley
MIT
The Open Reaction Database (ORD) Initiative for Standardizing and Sharing Organic Reaction Data
John Irwin
UC San Francisco
How ZINC Uses InChI
Mitch Miller     
NCATS
Global Substance Registration System: Extending the Concept of InChiKey to Other Substances
Greg Landrum
ETH Zurich
Using InChI, and bits of InChI,  from within the RDKit

 

We hope to see you at the workshop!
 
Steven Heller, Ph.D.
Chemistry Group, Information Engineering Branch 
National Center for Biotechnology Information, NIH
 
Marc Nicklaus, Ph.D.
Computer-Aided Drug Design Group
Center for Cancer Research, National Cancer Institute, NIH 
 
Evan Bolton, Ph.D.
Chemistry Group, Information Engineering Branch 
National Center for Biotechnology Information, NIH
 
Noel Southall, Ph.D.
Division of Preclinical Innovation

National Center for Advancing Translational Sciences, NIH




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