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July 2020

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Report on chemical information and computational chemistry
by Wendy Warr 23 Jul '20

23 Jul '20

******************* This email originates from outside Imperial. Do not click on links and attachments unless you recognise the sender. If you trust the sender, add them to your safe senders list https://spam.ic.ac.uk/SpamConsole/Senders.aspx to disable email stamping for this address. ******************* Chemical Information and Computation 2020, Number One. 259th ACS National Meeting and Miscellaneous Other Meetings I am delighted to announce that my report series continues despite the fact that the ACS spring 2020 meeting did not take place in person. I have captured some of the talks by collaborating with "speakers". I have then added material from two other in-person meetings and three virtual meetings. This time, topics covered include conformer generation, drug design, machine learning, AI, cheminformatics, FAIR data, synthesis design, retrosynthesis, reaction prediction, and automated chemistry and robotics. I have transcribed all the talks in detail, and have added value by including web links, expanding abbreviations, correcting errors, and carefully checking over 350 literature references. The report starts with about 60 pages of news from the first half of 2020, covering recent developments at over 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 about double the price you can share the report with hundreds, or even thousands of colleagues within your organization. You can see the contents list at http://warr.com/morepubs.html. Order forms are available from http://warr.com/. I look forward to hearing from all my faithful readers and some new ones too. Wendy Dr. Wendy A. Warr Wendy Warr & Associates 6 Berwick Court, Holmes Chapel Cheshire, CW4 7HZ, England Tel./Fax +44 (0)1477 533837 wendy(a)warr.com<mailto:wendy@warr.com> http://orcid.org/0000-0002-7064-4739 http://www.warr.com<http://www.warr.com/> Skype: wendyannewarr Twitter: @WendyAnneWarr

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