Title/Link Post Date 2012 San Diego ACS presentation: Registration system of mcule: InChI is the key (video) 10 March 2019 2018 InChI OER Notre Dame Poster 3 August 2018 A brief introduction to SMILES and InChI 5 November 2019 A possible extension to the RInChI as a means of providing machine readable process data 26 November 2022 A Short History of the InChI Project 24 November 2022 Additive InChI-based optimal descriptors: QSPR modeling of fullerene C60 solubility in organic solvents 4 November 2019 An Update on the Open Source InChI Project at Google Tech Talks (video) 29 July 2019 Analysing a billion reactions with the RInChI 26 November 2022 Application of InChI to curate, index, and query 3-D structures 5 November 2019 Applications of the InChI in cheminformatics with the CDK and Bioclipse 31 January 2019 Applications of the InChI in cheminformatics with the CDK and Bioclipse 5 November 2019 Batch Chemical IDs Conversion in Spreadsheets 17 June 2019 Breu introducció a la digitalització de la informació química 16 July 2018 Can an InChI for Nano Address the Need for a Simplified Representation of Complex Nanomaterials across Experimental and Nanoinformatics Studies? 31 December 2022 Capturing mixture composition: an open machine-readable format for representing mixed substances 26 August 2019 Capturing Mixtures — Bringing Informatics to the World of Practical Chemistry Recorded live December 19, 2019 26 November 2022 Chemical Entity Semantic Specification: Knowledge representation for efficient semantic cheminformatics and facile data integration 10 November 2019 Chemistry Programming with Python – Convert a SMILE String to InChI Using ChemSpider (Tutorial) 7 January 2020 Chemistry Programming with Python – Retrieving InChI From PubChem (Tutorial) 9 January 2020 Chemistry Programming with Python – Web Scraping Wikipedia For Chemical Identifiers (Tutorial) 9 January 2020 Comparative evaluation of open source software for mapping between metabolite identifiers in metabolic network reconstructions: application to Recon 2 10 November 2019 Consistency of systematic chemical identifiers within and between small-molecule databases 10 November 2019 Coordination InChI for inorganics: now with stereochemistry 26 November 2022 Crowdsourced Evaluation of InChI-based Tautomer Identification 24 November 2022 Current Status and Future Development in Relation to IUPAC Activities 5 November 2019 CVDHD: a cardiovascular disease herbal database for drug discovery and network pharmacology 31 January 2019 Data Formats for Elementary Gas Phase Kinetics, Part 1: Unique Representations of Species at the Molecular Level 31 January 2019 Detection of IUPAC and IUPAC-like chemical names 10 November 2019 Enhanced recognition and encoding of stereoconfiguration by InChI tools 21 February 2020 Enhancement of the chemical semantic web through the use of InChI identifiers 10 November 2019 Enumeration of Ring–Chain Tautomers Based on SMIRKS Rules 24 November 2022 Experimental and Chemoinformatics Study of Tautomerism in a Database of Commercially Available Screening Samples 24 November 2022 Failures of fractional crystallization: ordered co‐crystals of isomers and near isomers 20 February 2019 How can the International Chemical Identifier (InChI) be extended to non-trivial chemicals? 21 February 2020 How Many Miles Have We Gone, InChI by InChI? 7 November 2019 Identifier conversion on an Excel spreadsheet 25 July 2018 Identifying International Chemical Identifier (InChI) Enhancements—QR Codes and Industry Applications 21 February 2020 Implementation of InChI for chemically modified large biomolecules 21 February 2020 InChI – the worldwide chemical structure identifier standard 26 July 2018 InChI – the worldwide chemical structure standard 10 November 2019 InChI and the Islands (video) 31 January 2019 InChI As a Research Data Management Tool 1 February 2019 InChI for inorganics 26 November 2022 InChI for Nanomaterials 31 December 2022 InChI in the wild: an assessment of InChIKey searching in Google 6 November 2019 InChI Infographic 19 November 2018 InchI Isotopologue and Isotopomer Proposal 14 September 2022 InChI Isotopologue and Isotopomer Proposal 24 November 2022 InChI Markush and Variability 24 November 2022 InChI OER poster presented at ACS CERM Jun 2019 27 June 2019 InChI Open Education Resource 10 November 2019 InChI Student Worksheet 6 March 2019 InChI Videos Launched 21 February 2020 InChI, the IUPAC International Chemical Identifier 5 November 2019 InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance 20 February 2019 InChI-Trust YouTube Channel 31 January 2019 InChI: a user’s perspective 18 February 2019 InChI: connecting and navigating chemistry 6 November 2019 InChI: Measuring the Molecules 22 July 2020 InChI’ng forward: Community Engagement in IUPAC’s Digital Chemical identifier 21 February 2020 InChIKey collision resistance: an experimental testing 6 November 2019 InChILayersExplorer – A Spreadsheet to teach and learn the structure of an InChI 29 July 2019 International Chemical Identifier – Wikipedia 13 February 2020 International chemical identifier for chemical reactions 21 February 2020 International Chemical Identifier for Reactions (RInChI) 12 July 2018 International chemical identifier for reactions (RInChI) 10 November 2019 International chemical identifier for reactions (RInChI) 26 November 2022 International chemical identifier for reactions (RInChI) 26 November 2022 International Chemical Identifier for Reactions (RInChI) 26 November 2022 Introduction to the International Chemical Identifier (for Organic Chemistry Undergraduates) 23 August 2019 isoenum – a python package to enumerate isotopically resolved InChI 6 September 2019 Isotope Enumerator (isoenum) 24 November 2022 Isotope Enumerator Web GUI (isoenum-webgui) 24 November 2022 IUPAC Name2PubChem 13 July 2018 IUPAC and the InChI Trust Agree Upon Conditions for Collaboration 21 February 2020 IUPAC InChI (Video) 11 October 2019 IUPAC InChI at Google Tech Talks (video) 10 March 2019 IUPAC InChI/InChIKey Project Joins Microsoft BioIT Alliance 21 February 2020 IUPAC International Chemical Identifier 10 November 2019 IUPAC STANDARDS ONLINE 5 November 2019 Many InChIs and quite some feat 23 July 2018 Matlab InChIKey Scripts 25 July 2018 Mixtures as first class citizens in the realms of informatics 26 November 2022 Mixtures InChI: A story of how stadards drive upstream products 26 November 2022 Mixtures: Informatics for formulations and consumer products 26 November 2022 MMsDusty: an Alternative InChI-Based Tool to Minimize Chemical Redundancy 6 November 2019 Molecule2PubChemLCSS 29 November 2020 NCI CADD Tautomerizer 24 November 2022 On InChI and evaluating the quality of cross-reference links 31 January 2019 On InChI and Evaluating the Quality of Cross-reference Links 6 November 2019 Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on 10 November 2019 Progress towards “Large Molecule” support with InChI 31 December 2022 PubChem chemical structure standardization 10 November 2019 PubChem: Advancing chemical information through InChI 30 November 2022 QRInChI: InChI QR code generator 26 November 2022 QSAR-modeling of toxicity of organometallic compounds by means of the balance of correlations for InChI-based optimal descriptors 24 February 2019 QSPR modeling of octanol water partition coefficient of platinum complexes by InChI-based optimal descriptors 7 November 2019 RDKit InChI Calculation with Jupyter Notebook 29 July 2019 RECORDED CDD WEBINAR: CAPTURING MIXTURES — BRINGING INFORMATICS TO THE WORLD OF PRACTICAL CHEMISTRY 10 January 2020 Representation of chemical structures 18 February 2019 RInChI – What is next? 26 November 2022 Seminal InChI Publications 14 February 2020 Simplified molecular input-line entry system and International Chemical Identifier in the QSAR analysis of styrylquinoline derivatives as HIV-1 integrase inhibitors 18 February 2019 Solving the Issues in Standardisation of Stereochemical Representations 5 November 2019 Standard InChI Defined 10 November 2019 Status of the InChI algorithm and InChI trust 10 November 2019 Status of the IUPAC InChI Chemical Structure Standard – Today and the Future. Poster, Mainz 2018 19 November 2018 Tautomer Database: A Comprehensive Resource for Tautomerism Analyses 24 November 2022 Tautomer Identification and Tautomer Structure Generation Based on the InChI Code 7 November 2019 Tautomerism in large databases 24 November 2022 Tautomerism of Warfarin: Combined Chemoinformatics, Quantum Chemical, and NMR Investigation 24 November 2022 Tautomers in InChI 24 November 2022 Test (All Tags) 23 July 2023 The Birth of the InChI (video) 31 January 2019 The Chemical Translation Service—a web-based tool to improve standardization of metabolomic report 20 February 2019 The Future of Machine Interpretation of Chemical Structures 14 February 2020 The Googlable InChIKey (video) 31 January 2019 The InChI Code 14 February 2020 The InChI Team presented with the 2014 Chemical Structure Association (CSA) Trust Mike Lynch Award 14 February 2020 The IUPAC International Chemical Identifier (InChI) 7 November 2019 The IUPAC International Chemical Identifier: InChl–A New Standard for Molecular Informatics 10 November 2019 The RInChI Project 26 November 2022 The Semantic Chemical Web: GoogleInChI and other Mashups 29 July 2019 The Status of the InChI Project – 8/25/2011 26 July 2018 The status of the InChI project and the InChI trust 10 November 2019 The Status of the International Chemical Identifier standard-InChI 6/1/2014 26 July 2018 The Status of the IUPAC InChI Chemical Structure Standard – Today and the Future 26 July 2018 Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2 24 November 2022 Towards a Universal SMILES representation – A standard method to generate canonical SMILES based on the InChI 10 November 2019 UniChem: a unified chemical structure cross-referencing and identifier tracking system 10 November 2019 UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers 31 January 2019 UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers 6 November 2019 Use of the international chemical identifier for constructing QSPR-model of normal boiling points of acyclic carbonyl substances 20 February 2019 What on Earth is InChI? (video) 31 January 2019 What on the Earth is InChI? – IUPAC 100 Stories 26 July 2018 Why is Isotopic Labeling Useful in Metabolomics? 24 November 2022 Working Group Test 18 December 2021 yaInChI: Modified InChI string scheme for line notation of chemical structures 7 November 2019 MENUAbout the InChI standard About the InChI standard Extending the InChI standard Slide decks and posters News archive Events Support our work Support our work About the InChI Trust How to join Resources InChI OER Getting InChI Getting and using InChI InChI Web Demo PAGE TOP
