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  • About the InChI Trust
    • The InChI Trust and IUPAC
    • InChI News Page
    • InChI Board
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    • How to Join
    • Contact Us
    • InChI OUTREACH
  • Resources
    • InChI Education (OER)
    • InChI Full Bibliography
    • InChI Overview – Papers & Presentations
    • Papers on InChI Development
    • Scientific Articles Mentioning InChI
    • InChI in Drug Discovery Papers
    • AI/ML Papers Using InChI
  • InChI Downloads
    • Download InChI Tools
    • InChI Resolver Download
    • Slide Decks

InChI Tag: InChI Overview

4 posts

Test (All Tags)

AI/ML Blogs Cheminformatics Classroom Material Content type Data Extraction Drug Design Drug Discovery Events Extended Stereochemistry Extended Tautomers InChI Applications InChI Development InChI Overview Isotopologues Large Molecules Matlab Miscellaneous Mixtures (MInChI) Nanomaterials News Organic Organometallics/Inorganics Poster Publication Python Reactions Resolvers Safety Scientific Applications Search Slide Deck Software Spreadsheet Toolkits Variable/Positional Isomers Video

Test (All Tags)

by Andrew Cornell
Published July 23, 2023

De Novo Molecular Design with Chemical Language Models

AI/ML Cheminformatics Drug Design InChI Applications InChI Overview molecular representation Search Slide Deck toxicology Drug Design
by Rudy Potenzone
Published December 16, 2021

Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2.

Cheminformatics Extended Tautomers InChI Development InChI Overview molecular representation Publication InChI Extension InChI Extension
by Rudy Potenzone
Published December 7, 2020

Applications of the InChI in cheminformatics with the CDK and Bioclipse.

Cheminformatics Data Extraction Extended Tautomers InChI Overview molecular representation Publication Software Toolkits Science
by Rudy Potenzone
Published December 6, 2013

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