InChI: structure-based chemical identifier

Slide Decks from the InChI Session at ACS Chicago on 21 August 2022

Slide Decks from the InChI Session at ACS Chicago on 21 August 2022

InChI In the Wild

Celebrating 20 years of InChI Development in Memory of InChI Developer Igor Pletnev

Igor Pletnev

This symposium was a celebration of the impact that Igor Pletnev and other InChI developers have had on the discoverability, communication and exploitation of chemical information and data through development of the InChI standard. Presentations demonstrated practical application of InChI to enable the implementation of chemical information systems, the advancement of cheminformatics, interoperability of data across resources, and reliable communication of the outputs of chemistry.

Organizers:  Robert Belford;  Ian Bruno;  Carmen Nitsche; Rudy Potenzone

Division:  [CINF] Division of Chemical Information

InChI Session: ACS Chicago – 21 August 2022

InChI in the Wild: Celebrating Over 20 years of InChI Development in Memory of InChI Developer Igor Pletnev

SpeakerView Slide Deck
Stephen HellerDevelopment of the InChI Structure Standard
Gerd BlankeInChI – the path in the wild of chemical reactions: the Reaction InChI (RInChI)
Jonathan GoodmanInChI for Sets of Molecules and Variable Structures
Evan BoltonPubChem: Advancing chemical information through InChI
Yulia BorodinaCrowdsourced evaluation of InChI-based tautomer identification
Rudolph PotenzoneInChI IUPAC International Chemical Structure Standard – Application and Use of InChI Across Broad Areas of Chemistry
Antreas Afantitis, Iseult LynchExtending the InChI to nanomaterials: current progress and challenges — coming Soon
Ian BrunoUsing InChIs to connect across dimensions and domains
Robert BelfordInChI Education Resources
Stephen BoyerUsing Inchi descriptors to analyze molecular landscapes important to chemical applications
Antony WilliamsCharacterizing information content of Markush libraries with InChI
Antony WilliamsHow the InChI chemical identifier catalyzed a career in building web-based chemistry tools
Gerd BlankeFuture of InChI