---------- Forwarded message ---------
From: Steve Heller <st...@hellers.com>
Date: Fri, Feb 26, 2021 at 1:35 AM
Subject: [InChI-discuss] NIH Virtual Workshop on InChI, March 22-24,2021
To: inchi-disc...@lists.sourceforge.net <inchi-disc...@lists.sourceforge.net
>
Click to Register for the NIH Virtual Workshop on InChI, March 22-24, 2021
Note that a few presentation slots remain! If you would like to speak at
the workshop, please submit your proposed title in the registration
comments field. The organizing committee will review and respond.
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 Structure Pendium Technologies GmbH Reaction InChI
(RInChI) - What's Next?
Alex Clark Collaborative Drug Discovery Mixtures from
a Software Creator's Perspective: Building Upstream from 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 University 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
István Őri 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 Williams 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!
Stephen 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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--
Have you heard about Wikidata already? "Use Scholia and Wikidata to find
scientific literature" is a new tutorial from my colleague Lauren Dupuis.
https://laurendupuis.github.io/Scholia_tutorial/
-----
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
Blog: http://chem-bla-ics.blogspot.com/
PubList: https://www.zotero.org/egonw
ORCID: 0000-0001-7542-0286 <http://orcid.org/0000-0001-7542-0286>
ImpactStory: https://impactstory.org/u/egonwillighagen
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