Daily Archives: March 15, 2019

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InChI Symposium, San Diego Aug 2019

Status and Future of the IUPAC InChI
InChI Symposium held at the San Diego Convention Center, 23-24 August 2019

Introduction

Ray Boucher: InChI Trust Report

Ian Bruno: Overview of the Meeting

Community perspectives

Steffen Pauly: Deposit of chemical structure data from publications to public databases

Steve Boyer: Patents

Lutz Weber: Ontologies

Tina Qin:Teaching InChI to chemistry students

Peter Linstrom: NIST WebBook

Bob Belford: Education – InChI OER

Hunter Moseley: Isotopologues

Richard Kidd: Open Source Development

Roger Sayle: SMILES and IUPAC

Yulia Borodina: InChI at the FDA – recent developments, current challenges

Markus Bussen: ChemChain

Project and working group updates

Alex Clark: Mixtures (CDD/NIH projects) MinChI

Leah Rae McEwen, Evan Bolton: Large Molecules – complementarity w/ HELM & Mixtures

David Deng: Use case of HELM

Andrey Yerin: Polymers

Gerd Blanke: Reaction Inchi, RInChI

Marc Niklaus: Tautomers

Ian Bruno: Organometallics

Richard Hartshorn: QR Codes

Vin Scalfani: SMILES+ 

Future discussions

Mark Niklaus: InChI 2.0

Andrey Yerin: Stereochemical configuration

Jonathan Goodman: Variability

Summary

Richard Kidd, Ray Boucher: Keeping up the momentum: Brief report from the InChI San Diego workshop