---------- 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 _______________________________________________ InChI-discuss mailing list inchi-disc...@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/inchi-discuss -- 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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