All Publications

Title/Link Post Date
2012 San Diego ACS presentation: Registration system of mcule: InChI is the key (video) March 10, 2019
2018 InChI OER Notre Dame Poster August 3, 2018
An Update on the Open Source InChI Project at Google Tech Talks (video) July 29, 2019
Applications of the InChI in cheminformatics with the CDK and Bioclipse January 31, 2019
Batch Chemical IDs Conversion in Spreadsheets June 17, 2019
Breu introducció a la digitalització de la informació química July 16, 2018
Capturing mixture composition: an open machine-readable format for representing mixed substances August 26, 2019
Chemistry Programming with Python – Retrieving InChI From PubChem (Tutorial) October 4, 2019
CVDHD: a cardiovascular disease herbal database for drug discovery and network pharmacology January 31, 2019
Data Formats for Elementary Gas Phase Kinetics, Part 1: Unique Representations of Species at the Molecular Level January 31, 2019
Failures of fractional crystallization: ordered co‐crystals of isomers and near isomers February 20, 2019
Identifier conversion on an Excel spreadsheet July 25, 2018
InChI – the worldwide chemical structure identifier standard July 26, 2018
InChI and the Islands (video) January 31, 2019
InChI As a Research Data Management Tool February 1, 2019
InChI Infographic November 19, 2018
InChI OER poster presented at ACS CERM Jun 2019 June 27, 2019
InChI Student Worksheet March 6, 2019
InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance February 20, 2019
InChI-Trust YouTube Channel January 31, 2019
InChI: a user’s perspective February 18, 2019
InChILayersExplorer – An Spreadsheet to tech and learn the structure of an InChI July 29, 2019
International Chemical Identifier for Reactions (RInChI) July 12, 2018
Introduction to the International Chemical Identifier (for Organic Chemistry Undergraduates) August 23, 2019
isoenum – a python package to enumerate isotopically resolved InChI September 6, 2019
IUPAC Name2PubChem July 13, 2018
IUPAC InChI (Video) October 11, 2019
IUPAC InChI at Google Tech Talks (video) March 10, 2019
Many InChIs and quite some feat July 23, 2018
Matlab InChIKey Scripts July 25, 2018
On InChI and evaluating the quality of cross-reference links January 31, 2019
QSAR-modeling of toxicity of organometallic compounds by means of the balance of correlations for InChI-based optimal descriptors February 24, 2019
RDKit InChI Calculation with Jupyter Notebook July 29, 2019
Representation of chemical structures February 18, 2019
Simplified molecular input-line entry system and International Chemical Identifier in the QSAR analysis of styrylquinoline derivatives as HIV-1 integrase inhibitors February 18, 2019
Status of the IUPAC InChI Chemical Structure Standard – Today and the Future. Poster, Mainz 2018 November 19, 2018
The Birth of the InChI (video) January 31, 2019
The Chemical Translation Service—a web-based tool to improve standardization of metabolomic report February 20, 2019
The Googlable InChIKey (video) January 31, 2019
The Semantic Chemical Web: GoogleInChI and other Mashups July 29, 2019
The Status of the InChI Project – 8/25/2011 July 26, 2018
The Status of the International Chemical Identifier standard-InChI 6/1/2014 July 26, 2018
The Status of the IUPAC InChI Chemical Structure Standard – Today and the Future July 26, 2018
UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers January 31, 2019
Use of the international chemical identifier for constructing QSPR-model of normal boiling points of acyclic carbonyl substances February 20, 2019
What on Earth is InChI? (video) January 31, 2019
What on the Earth is InChI? – IUPAC 100 Stories July 26, 2018