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Chemical Information and Computation 2022
ACS National Meetings 2022 and Other Meetings

Warm new year greetings for 2023. I am excited to announce the publication of the 2022 issue in my renowned report series. This time, it is two reports for the price of one! Almost all readers will get a double report for the same price as a 2019 single issue. The U.K. price has been adjusted a little to correct a longstanding discrepancy with other countries. The 2022 report is based on both ACS national meetings and has some material from other meetings as well. At almost double the length of a typical issue, it is a real bargain. The 50% discount for academia and government continues, and within large organizations, academic or industrial, licensees can share the report with hundreds, or even thousands of colleagues for little more than twice the special, basic price.

My reports are essential reading if you want to keep up to date with recent developments in cheminformatics and computational chemistry. As usual, I have transcribed technical presentations in detail, and have added value by including web links, expanding abbreviations, correcting errors, and carefully checking the literature references. License the current report and you will benefit from reading around these themes:

• retrosynthesis
• reaction databases
• AI and machine learning
• AI for predicting PK parameters
• knowledge graph applications
• data QA and QC in large chemical databases
• data standards, the research data ecosystem, and intelligent laboratories
• InChI
• tautomerism
• the MELLODDY project
• the CACHE initiative
• educating chemists on data science and cheminformatics.

The report starts with the year's news: recent developments at more than 60 organizations in the computational chemistry, cheminformatics, chemical information, and publishing markets, plus news about people, awards, and more. Waste no time. Order now for delivery in January 2023.

Click here for the contents list.

Order forms (PDF):
ACS 2022 US order form in dollars
ACS 2022 US academic order form in dollars
ACS 2022 UK order form in pounds sterling
ACS 2022 UK academic order form in pounds sterling
ACS 2022 European order form in euros
ACS 2022 European academic order form in euros

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

This is the 59th issue in this report series. 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

Chemaxon user meeting reports

Report on the 2022 Chemaxon European user meeting.

Report on the 2020 ChemAxon user meeting (Cheminfo Stories 2020)

Report on the 2019 ChemAxon European User Meeting

Report on the 2018 ChemAxon European User Meeting

Report on the 2017 ChemAxon European User Meeting

Report on the 2017 ChemAxon US User Meeting

Report on the 2016 ChemAxon European User Group Meeting

Report on the 2015 ChemAxon US User Group Meeting

Report on the 2014 ChemAxon European User Group Meeting

Report on the 2013 ChemAxon US User Group Meeting

Report on the 2012 ChemAxon European user meeting

Report on the 2011 ChemAxon US user meeting

Report on the 2010 ChemAxon European user meeting

Report on the 2009 ChemAxon European user meeting

Report on the 2008 ChemAxon European user meeting

Report on the 2007 ChemAxon European user meeting

Latest Science News

Latest science news from Science Writer David Bradley

June 2006

See an Interview with Wendy Warr in Reactive Reports.

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