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Chemical Information and Computation 2025
Number One. ACS National Meeting, San Diego, California, March 23-27, 2025

I am excited to announce that the latest issue in my renowned report series is now ready. I am also happy to make you aware of a significant reduction in prices. The 50% discount for academia and government continues, but the multi-user license is no longer applicable. Any licensee, academic or commercial, can share the report with unlimited numbers of readers within their own organization. Organizations that used to take out multi-user licenses will now be paying less than half the previous price. Standard licensees will see small price decreases because of currency exchange recalculations; they will also have the multi-user advantage at no extra cost.

My reports are essential reading if you want to keep up to date with recent developments in cheminformatics and computational chemistry. The format of the current report is much as usual: news, lengthy summaries of talks in technical sessions, references, and posters. The news section covers recent developments at over 60 organizations in the computational chemistry, cheminformatics, chemical information, and publishing markets, plus news about people and awards. This time, the news section is much longer than usual. The technical section is shorter but is still of considerable interest.

Click here for the contents list.

Order forms (PDF):
ACS 2025 US order form in dollars
ACS 2025 UK order form in pounds sterling
ACS 2025 European order form in euros

Contact us for special offers, to get price details in other currencies or to request order forms for previous reports.

Click here for contents list of the previous report

National Institutes of Health (NIH) Workshop on Reaction Informatics

My article with the above title is freely available at ChemRxiv.

The virtual workshop took place on May 18-20, 2021. It was a follow-up from the December 2020 NIH Workshop on Ultralarge Chemistry Databases.

Report on an NIH Workshop on Ultralarge Chemistry Databases

My article with the above title is freely available at ChemRxiv.

There were about 30 speakers. In order to reduce the report to a reasonable length, there is less detail than there is in my ACS meeting reports but I have included 167 references for readers who want greater depth.

AI4SD reports

Freely available on the University of Southampton Institutional Repository are:

AI in Drug Discovery & Drug Safety Workshop 2019 .

AI for Reaction Outcome and Synthetic Route Prediction Conference 2020.

AI4SD Conference Report 2022.

Wendy Warr has won the ACS Division of Chemical Information 2020 Herman Skolnik Award

See the accolade here.

Click here for the report on the symposium.

One Million Crystal Structures: a Wealth of Structural Chemistry Knowledge

A Symposium Held by the ACS Division of Chemical Information at the Fall ACS National Meeting in San Diego on August 27-28, 2019

A report by Wendy Warr can be downloaded.

Wendy Warr on Twitter

Follow Wendy Warr on Twitter: @WendyAnneWarr

Legacy of Eugene Garfield: from the Chicken Coop to the World Wide Web

Gene Garfield left a legacy far beyond the concept of citation indexing and bibliometrics, and the ideas that he developed during the latter half of the last century continue to fuel advances in cheminformatics and information science. See the freely available report by Wendy Warr on a symposium presented at the 255th ACS National Meeting and Exposition in New Orleans, LA, on March 19, 2018.

Herman Skolnik Award Symposium

Please click on the following links to see the free reports by Wendy Warr.

2019: Honouring Kimito Funatsu.

2018: Honouring Gisbert Schneider.

2017: Honouring David Winkler.

2016: Honouring Stephen Bryant and Evan Bolton.

2015: Honouring Jürgen Bajorath.

2014: Honouring Engelbert Zass.

2013: Honouring Richard D. (Dick) Cramer.

2012: Honouring Henry Rzepa and Peter Murray-Rust.

2011: Honouring Prof. Alexander (Sandy) Lawson. Information Services in Chemical Sciences: Perspectives

Contacting Wendy Warr & Associates

Wendy Warr & Associates,
6 Berwick Court,
Holmes Chapel,
Cheshire, CW4 7HZ,
England.
Tel and Fax +44 1477 533837
Email: wendy@warr.com
Twitter: @WendyAnneWarr
VAT number GB: 611 3911 77