CCL: NIH Virtual Workshop on InChI, March 22-24,2021
- From: "steve heller" <steve#hellers.com>
- Subject: CCL: NIH Virtual Workshop on InChI, March 22-24,2021
- Date: Sat, 20 Feb 2021 16:46:59 -0500
Sent to CCL by: "steve heller" [steve]![hellers.com]
Click to Register for the NIH Virtual Workshop on InChI, March 22-24,
2021
https://nih.zoomgov.com/meeting/register/vJItfu-
rpzIvGOoCM9pv4CdJRW06rEt9ULQ
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
Istvn ri 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