InChI News

24 posts

February 12, 2022: InChI Trust Website Updated

The InChI Website has been updated and a number of new areas added:
• a Working Group page with all the projects listed; a webpage for each Working Group
• The Bibliography has been divided into 4 sections: 1: InChI overview; 2: code development; 3: drug discovery papers; 4: ML/AI or other scientific papers
People overviews have been added: Board; InChI Team; Working Group Leaders and Members

general November 15, 2021: First Issue of InChI OUTREACH Released

InChI OUTREACH will be published on a regular basis every 2 to 3 months. We will include the latest news, topics of interest, discussions on various aspects of InChI. The first issue and a link to subscribe to future issues are available here:

trust November 10, 2021: We sadly note the passing of Igor Pletnev

Igor Pletnev was the developer and caretaker of the InChI software algorithm for over 15 years, first at NIST and then at the InChI Trust. Over the years Igor made great contributions to the InChI project. His knowledge of both chemistry and computer programming made him a unique person to carry out all these tasks while interacting with chemists around the world on an almost daily basis. While there were many demands on his work efforts with the InChI algorithm, Igor always was calm and friendly to all, a true professional at all times. He will be missed and dearly remembered for all of his outstanding work by all of us at InChI Trust and the global community of InChI developers and users.

trust September 1, 2021: New Team Members Added

The InChI Trust added two new positions to help advance the extension of the InChI code as well as its awareness and use across the community.

Gerd Blanke (gerd@inchi-trust.org) is the Technical Director for the Trust. He is working closely with the working groups to help move the various activities to delivery in next versions of the code. Gerd has held senior positions in information technology and services across the research area of life science and chemical industry. His business development skills span chemical and bio informatics, databases, data analytics, business Intelligence, project management, and management. (https://www.linkedin.com/in/gerd-blanke-b13115).

Rudy Potenzone (rudy@inchi-trust.org) is the Director of Outreach and Marketing, including extensions to the website, a newsletter (InChI OUTREACH), and a program to reach out to potential new sponsors, developers and users. Rudy is an accomplished executive with a proven track record of developing products for life science informatics, knowledge management, workflow systems and electronic lab notebooks. (https://www.linkedin.com/in/rudypoten).

trust December 15, 2020: InChI Code Release 1.06

InChI v1.06 (https://www.inchi-trust.org/wp/downloads/) is now available. This new version includes pseudo-atoms, which have a variety of uses including an improved description of polymers. There are also various bug-fixes and technical changes which will be very useful for programmers but which will probably not be noticed by everyone who uses the code just to generate standard InChI. The initial work for contracts for organometallics, coordination compounds, inorganics, and extended tautomers has been completed and the working groups are now analyzing and discussing the resulting work to determine the next VU steps.

release January 27, 2017: InChI 1.05 and Reaction InChI (RInChI) 1.0 Released

Version 1.05 of the InChI software was released, along with version 1.00 of the Reaction InChI (RInChI)

release June 1, 2011: InChI 1.04 and the InChI Certification Suite Released

Version 1.04 of the InChI software was released as well as an InChI Certification Suite which is designed to check the correct installation of the InChI software. Certification logos for correct installations as well as InChI Trust member and supporter logos are provided by the InChI Trust.

release July 1, 2009: The InChI Trust was formed

The InChI Trust was formed. The 2009 Board of Directors consists of 8 members: The Royal Society of Chemistry • Nature Publishing Group • Elsevier Properties SA • Thomson Reuters • John Wiley & Sons • FIZ CHEMIE • Taylor & Francis • IUPAC

trust January 6, 2009: Standard versions of InChI and the InChIKey released

Standard versions of InChI 1.02 and the InChIKey were released, which took the original algorithm with its many variable parameters and fixed them so that interoperability between databases and resources with InChIs could be achieved.02

June 3, 2008: InChIKey - a shorter hash key version of InChI

A shorter hash key version of InChI, known as InChIKey was developed by Igor Pletnev. This alternative format is much more suitable for use in search engines and offers many new possibilities for software applications.

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