Welcome to the
Wendy Warr & Associates
Home Page

Chemical Information and Computation 2023
Number One. Spring 2023 ACS National Meeting

I am excited to announce the publication of the sixtieth issue in my renowned report series! 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 about symposia with these themes:

• chemical library enumeration
• machine learning and AI for organic chemistry
• machine learning in chemistry: chemical representations and chemical reactions
• chemistry database APIs: available databases, workflow and use cases
• ELNs and notebook-like applications for data sharing
• WorldFAIR Chemistry (sharing chemical data).

The report starts with news of recent developments at more than 50 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 August 2023.

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 basic price.

Click here for the contents list.

Order forms (PDF):
ACS 2023 US order form in dollars
ACS 2023 US academic order form in dollars
ACS 2023 UK order form in pounds sterling
ACS 2023 UK academic order form in pounds sterling
ACS 2023 European order form in euros
ACS 2023 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 60th 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

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