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February 15, 2023 / Last updated : February 15, 2023 Rudy Potenzone News & Articles

InChI Software Downloads

The InChi Trust makes available free open-source software to load and write chemical structures.   In order to keep users of these tools up to date, the Trust requests that you fill in the information below.  We will use the information that you provide on this form solely to notify you about updates and new […]

May 20, 2021 / Last updated : November 11, 2021 Richard Kidd News & Articles

InChI 1.06 Q&A Webinar

In March 2021, shortly after version 1.06 of the InChI software was released, the InChI Trust and the NIH sponsored a workshop to give users the opportunity to get answers to questions about the new release. The webinar was well attended with 240 people logged into the Zoom workshop, from 37 different countries. Questions were […]

July 12, 2018 / Last updated : May 27, 2021 Richard Kidd News & Articles

IUPAC/InChI mini-workshop

There will be an IUPAC/InChI mini-workshop at the upcoming Boston ACS meeting. It will be held on the Friday Aug 17 and Saturday Aug 18 prior to the ACS meeting in the Westin Waterfront next to the convention center. There are several break-out sessions planned on current topics relevant to InChI and IUPAC data standards, […]

October 16, 2017 / Last updated : May 27, 2021 Richard Kidd News & Articles

Update – August 2017

Progress update from our Project Director (Aug 2017)

October 16, 2017 / Last updated : May 27, 2021 Richard Kidd News & Articles

The Status of the IUPAC InChI Chemical Structure Standard

Ray Boucher, Stephen Heller, Alan McNaught, Chem. Int., 2017, 29 https://doi.org/10.1515/ci-2017-0316 Read the article

October 16, 2017 / Last updated : May 27, 2021 Richard Kidd News & Articles

Call for papers – Pure & Applied Chemistry – Research Data, Big Data and Chemistry

The International Union of Pure and Applied Chemistry (IUPAC) held a symposium on Research Data, Big Data, and Chemistry at the 2017 World Chemistry Congress in São Paulo. The Union published a special issue of Chemistry International (CI) to accompany the symposium (https://doi.org/10.1515/ci-2017-0300). We have been asked to develop a special issue on a similar topic […]

October 9, 2017 / Last updated : May 27, 2021 Richard Kidd News & Articles

InChI, the IUPAC International Chemical Identifier

Stephen R Heller, Igor Pletnev, Stephen Stein and Dmitrii Tchekhovskoi, J. Cheminformatics, 2015, 7:23 Read the article

October 9, 2017 / Last updated : May 27, 2021 Richard Kidd News & Articles

Many InChIs and quite some feat

Warr, W.A., J. Comput. Aided Mol. Des., 2015, 29: 681. https://doi.org/10.1007/s10822-015-9854-3  Read the article

April 26, 2017 / Last updated : May 27, 2021 Richard Kidd News & Articles

InChI for Reactions – RInChI released

Version 1.00 of the RInChI – InChI for reactions – has been released and is available from the Download area

April 26, 2017 / Last updated : May 27, 2021 Richard Kidd News & Articles

InChI version 1.05 released

InChI version 1.05 has been released and is available in the Download area

April 26, 2017 / Last updated : October 9, 2017 Richard Kidd News & Articles

Status and Future of the IUPAC InChI: context and use cases

Register now for our “State and Future of the IUPAC InChI” meeting at the NIH 16-18 August 2017 – more details here

April 26, 2017 / Last updated : May 27, 2021 Richard Kidd News & Articles

Update – Mar 2017

Progress update from our Project Director (Mar 2017)

April 26, 2017 / Last updated : May 27, 2021 Richard Kidd News & Articles

Update – Aug 2016

Progress update from our Project Director (Aug 2016)

November 11, 2016 / Last updated : May 27, 2021 Richard Kidd News & Articles

Update – Feb 2016

Progress update from our Project Director (Feb 2016)

February 12, 2016 / Last updated : October 9, 2017 Administrator News & Articles

PubChem Substance and Compound databases

Sunghwan Kim, Paul A. Thiessen, Evan E. Bolton, Jie Chen, Gang Fu, Asta Gindulyte, Lianyi Han, Jane He, Siqian He, Benjamin A. Shoemaker, Jiyao Wang, Bo Yu, Jian Zhang and Stephen H. Bryant. Nucleic Acids Research. 2015 Published online 22 September 2015.

November 24, 2015 / Last updated : May 27, 2021 Richard Kidd News & Articles

Update – Nov 2015

Progress update from our Project Director (Nov 2015)

May 14, 2015 / Last updated : May 27, 2021 Richard Kidd News & Articles

Update – March 2015

Progress update from our Project Director (Mar 2015)

May 14, 2015 / Last updated : May 27, 2021 Richard Kidd News & Articles

Update – August 2014

Catch up with our latest Project Director’s Report (August 2014)

October 24, 2013 / Last updated : October 9, 2017 Administrator News & Articles

International chemical identifier for reactions (RInChI)

Guenter Grethe, Jonathan M Goodman and Chad HG Allen J. Cheminf. 2013, 5:45, published online on 24 October 2013. Read the article

September 29, 2013 / Last updated : May 27, 2021 Administrator News & Articles

Update – September 2013

Our recent set of videos are now available on YouTube (and via the home page) – please use them and let us know what you think! Read the papers from “The IUPAC International Chemical Identifier (InChI) and its influence on the domain of chemical information“, the special issue of J. Cheminf., 2012 Catch up with […]

October 29, 2012 / Last updated : May 27, 2021 Administrator News & Articles

Update – October 2012

InChI Trust Project Director’s Newsletter (October 2012)

March 29, 2012 / Last updated : May 27, 2021 Administrator News & Articles

Update – March 2012

An all-day symposium dedicated to the International Chemical Identifier (InChI) will be held at the 243rd ACS National Meeting in San Diego, CA. In sixteen presentations (including several talks by InChI Trust members and supporters) the current status and future of the InChI will be discussed and the use and usefulness of InChIs in databases, […]

January 24, 2012 / Last updated : January 24, 2012 Administrator News & Articles

InChI – the worldwide chemical structure identifier standard

Stephen Heller, Alan McNaught, Stephen Stein, Dmitrii Tchekhovskoi and Igor Pletnev J. Cheminf. 2013, 5:7, published online on 24 January 2013 (Open Access).

October 29, 2011 / Last updated : May 27, 2021 Administrator News & Articles

Update – October 2011

The InChI Trust and the International Union of Pure and Applied Chemistry (IUPAC) are pleased to announce the release of a new version of the IUPAC International Chemical Identifier (InChI) software. Version 1.04 of the open source software is now available on the InChI Trust Download page. This version now supports the chemical elements up […]

December 10, 2010 / Last updated : October 10, 2017 Administrator News & Articles

Tautomer Identification and Tautomer Structure Generation Based on the InChI Code

Torsten Thalheim, Armin Vollmer, Ralf-Uwe Ebert, Ralph Kühne and Gerrit Schüürmann J. Chem. Inf. Model. 2010, 50(7), 1223-1232. Read the article here.

July 29, 2010 / Last updated : May 27, 2021 Administrator News & Articles

Update – July 2010

The InChI Trust has initiated a contract with GGA Software Services LLC for its subsidiary SciTouch LLC to develop software programs to test and certify that InChIs and InChIKeys produced by whatever means are correct and valid. This work will expand on and make even more robust the original programs developed by NIST as part […]

June 29, 2010 / Last updated : October 9, 2017 Administrator News & Articles

Mol files and InChI Keys in Elsevier online articles on ScienceDirect

This article describes the use of Mol files and InChIKeys in the online resources of Elsevier.

June 29, 2010 / Last updated : May 27, 2021 Administrator News & Articles

Update – June 2010

The InChI Trust and the International Union of Pure and Applied Chemistry (IUPAC) are pleased to announce the release of a new version of the IUPAC International Chemical Identifier (InChI) software. Version 1.03 of the open source software is now available (Download page).

May 28, 2010 / Last updated : October 9, 2017 Administrator News & Articles

InChI Trust release new version of software – June 2010

28 June 2010 The InChI Trust (InChI Trust) and the International Union of Pure and Applied Chemistry (IUPAC) are pleased to announce the release of a new version of the IUPAC International Chemical Identifier (InChI) software. Version 1.03 of the open source software is now available. The InChI algorithm turns chemical structures into machine-readable strings […]

March 29, 2010 / Last updated : May 27, 2021 Administrator News & Articles

Update – March 2010

A contract to investigate the feasibility of QC/validation tools, documentation and InChI extensions has been awarded to Digital Chemistry and the results will be available in mid 2010. Support for the main InChI developer has been secured. To expedite progress by the IUPAC InChI Subcommittee working groups, the InChI Trust has provided funds to hold […]

September 10, 2009 / Last updated : October 9, 2017 Administrator News & Articles

Elsevier Joins InChI Trust as a Charter Member – September 2009

10 September 2009 Originally distributed by Elsevier Neuchâtel, Switzerland, 10 September 2009 – Elsevier, a leading publisher of scientific, technical and medical information products and services, today announced it has become one of the Charter Members of the InChI Trust and will have a seat on the board at the first InChI Trust Board meeting […]

July 21, 2009 / Last updated : October 9, 2017 Administrator News & Articles

Launch of the InChI Trust – July 2009

21 July 2009 Originally distributed by Nature Publishing Group The InChI Trust, a not-for-profit organisation to expand and develop the InChI Open Source chemical structure representation algorithm, is formally launched this week. Originally developed by the International Union of Pure and Applied Chemistry (IUPAC), the IUPAC International Chemical Identifier (InChI) is an alpha-numeric character string […]

August 12, 2006 / Last updated : October 9, 2017 Administrator News & Articles

InChI Canonicalization Algorithm

Rich Apodaca Depth-First. 2004 published online 12 August 2006

September 10, 2004 / Last updated : October 9, 2017 Administrator News & Articles

The INChI as an LSID for molecules in lifescience

Peter Murray-Rust, Henry Rzepa and Steve Stein Published online September 2004

Recent Posts

InChI Software Downloads

February 15, 2023

InChI Trust Adds Technical Director and Outreach Director

November 10, 2021

InChI 1.06 Q&A Webinar

May 20, 2021

InChI Symposium, San Diego Aug 2019

March 15, 2019

IUPAC/InChI mini-workshop

July 12, 2018

Update – August 2017

October 16, 2017

The Status of the IUPAC InChI Chemical Structure Standard

October 16, 2017

Call for papers – Pure & Applied Chemistry – Research Data, Big Data and Chemistry

October 16, 2017

InChI, the IUPAC International Chemical Identifier

October 9, 2017

Many InChIs and quite some feat

October 9, 2017

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