Welcome to the
Wendy Warr & Associates
Home Page

Chemical Information and Computation 2021, Number Two.
Hybrid 262nd ACS National Meeting and Exposition, August 2021

I am excited to announce the publication of the 58th report in this renowned series. I produce lengthy reports every six months loosely based around ACS meetings. My reports are essential reading if you want to keep up to date with recent developments in cheminformatics and computational chemistry. License the current report and you will benefit from reading technical presentations in symposia entitled:

• Reactions: Representation, Planning, and Robotics
• Machine Learning and AI for Chemistry
• Deep Learning for Chemistry: Resilience of Methods and Workflows
• Accelerating Drug Discovery through Design-Make-Test-Analyze (DMTA) and Additional Computational Methods
• Natural Products and Food Informatics
• FAIR Publication and Preprints (one talk from each of two symposia).

I have transcribed all the talks in detail, and have added value by including web links, expanding abbreviations, correcting errors, and carefully checking the literature references. You will also want to keep up to date with industry news. The report starts with news from the second half of 2021, covering recent developments at about 60 organizations in the computational chemistry, cheminformatics, chemical information, and publishing markets.

All this comes at a very reasonable price, with a 50% discount for academia and government. Moreover, for only double the price you can share the report with hundreds, or even thousands of colleagues within your organization.

Click here for the contents list.

Order forms (PDF):
Fall 2021 US order form in dollars
Fall 2021 US academic order form in dollars
Fall 2021 UK order form in pounds sterling
Fall 2021 UK academic order form in pounds sterling
Fall 2021 European order form in euros
Fall 2021 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.

We produce these reports at 6-monthly intervals. 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.

AI3SD 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.

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

See the accolade here.

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.

Cheminformatics: Looking Back to the Future

This webinar recording is available free here (133MB download)
This event was originally broadcast on Thursday, November 16, 2017
Presented by Wendy A. Warr
Hosted by ACS Publications and ACS Division of Chemical Information

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: onouring 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 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