- chemweb - imperial.ac.uk

ICCS Noordwijkerhout 2022
by Wendy Warr 07 Jun '21

07 Jun '21

******************* 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. ******************* Save the date. ICCS 2022 will take place on 12-16 June. A year late, but I am looking forward to seeing everyone in Noordwijkerhout again. Wendy Dr. Wendy A. Warr Wendy Warr & Associates 6 Berwick Court, Holmes Chapel Cheshire, CW4 7HZ, England Tel. +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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Free report on ChemAxon meeting
by Wendy Warr 23 Sep '20

23 Sep '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. ******************* My report on the recent virtual ChemAxon user meeting is available on open access at https://chemaxon.com/news/wendy-warrs-report-cheminfo-stories-2020. Interesting meeting and it will cost you nothing to read all about it. My most recent report in the ACS Meeting series is still available for licensing: Chemical Information and Computation 2020, Number One. 259th ACS National Meeting and Miscellaneous Other Meetings, see http://warr.com/morepubs.html and https://www.warr.com/. 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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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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Meeting report
by Wendy Warr 13 Feb '20

13 Feb '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 2019, Number Two. 258th ACS National Meeting and Exposition, San Diego, CA, August 25-29, 2019 I am excited to announce the publication of the 54th report in my renowned series of ACS meeting reports. 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 on AI and organic synthesis, text mining and natural language processing, chemical representation, and Google BigQuery and related topics. For completeness, I have also included my reports on the Herman Skolnik Award Symposium honoring Kimito Funatsu, and on the symposium entitled "One million crystal structures: a wealth of structural chemistry knowledge". I have transcribed all the talks in detail, and have added value by including web links, expanding abbreviations, correcting errors, and carefully checking 270 literature references. You will also want to keep up to date with industry news: the report starts with about 50 pages of news from the second half of 2019, covering people, awards, and recent developments at 60 organizations in the computational chemistry, cheminformatics, chemical information, and publishing markets. As a bonus, there is an appendix with the posters presented by the winner of the ACS CINF scholarship for scientific excellence, plus four posters that were presented at other 2019 meetings. All this 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. You can see the contents list at http://warr.com/morepubs.html. Order forms are available from http://warr.com/. 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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Free report on CCDC sympsoium
by Wendy Warr 30 Jan '20

30 Jan '20

******************* This email from 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. ******************* 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 17-18, 2019 A report by Wendy Warr can be downloaded from https://info.ccdc.cam.ac.uk/acs-report 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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Free report on ChemAxon meeting
by Wendy Warr 28 Jun '19

28 Jun '19

My report on the ChemAxon European User Meeting is now freely available at https://chemaxon.com/news/chemaxon-european-user-meeting-budapest-2019. 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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Report on fall 2018 ACS Meeting
by Wendy Warr 07 Feb '19

07 Feb '19

Chemical Information and Computation 2018, Number Two. 256th ACS National Meeting and Exposition, Boston, MA, August 19-23, 2018 I am excited to announce the publication of the 52nd report in my renowned series of reports. I have had a faithful following since 1992. 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 on: * AI * reaction analytics * automating route design, optimization and synthesis * finding druggable targets * turning data into decisions * publishing and reproducibility of chemistry research data * and more. I have transcribed the talks in detail, with color graphics. I have added value by: * including web links * expanding abbreviations * correcting errors * carefully checking over 100 literature references in the main section alone. You will also want to keep up to date with industry news: the report starts with more than 60 pages of news from the second half of 2018, covering people, awards, and recent developments at over 60 organizations in the computational chemistry, cheminformatics, chemical information, and publishing markets. As a bonus, there are two appendices with further reporting from the meeting, plus five posters that appeared recently elsewhere. And all this 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. You can see the contents list at http://warr.com/morepubs.html. Order forms are available from http://warr.com/. 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://www.warr.com<http://www.warr.com/>

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Reviews, programming languages in chemistry
by Wendy Warr 05 Feb '19

05 Feb '19

J. Cheminf. is featuring reviews on programming languages in chemistry. Useful review of HTML5 and JavaScript at https://jcheminf.biomedcentral.com/articles/10.1186/s13321-019-0331-1 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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Free Report. Information Legacy of Gene Garfield: from the Chicken Coop to the World Wide Web
by Wendy Warr 02 Nov '18

02 Nov '18

Free Report. Information Legacy of Gene 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 my freely available report at http://warr.com/InformationLegacyofEugeneGarfield.pdf on a symposium presented at the 255th ACS National Meeting and Exposition in New Orleans, LA, on March 19, 2018. 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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CAS collaborates with iChemLabs
by Wendy Warr 18 Sep '18

18 Sep '18

https://www.cas.org/resources/press-releases/cas-ichemlabs-collaboration CAS collaborates with iChemLabs empowering scientists to do better research in less time with SciFinder-n 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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