March 2017 - chemweb - imperial.ac.uk

13th German Conference on Chemoinformatics
by Wendy Warr 30 Mar '17

30 Mar '17

Posted on behalf of Oliver Koch: 1st Call for Papers - 13th German Conference on Chemoinformatics - November 05.-07.2017 - Mainz, Germany The division Chemistry-Information-Computer (CIC) of the German Chemical Society cordially invites you to participate in the 13th German Conference on Chemoinformatics. The conference will take place November, 05. - 07., 2017 in Mainz, Germany. The aim of the conference is to reflect and highlight the new role of cheminformatics in the modern information world. It will span a wide range of subjects related to the use of computers in chemistry, pharmacy, materials science and biology from chem- and bioinformatics to explicit modelling and from industrial applications to fundamental academic research. Confirmed Speakers: * Evan Bolton NCBI, USA * David Case Rutgers University, USA * Bettina Keller FU Berlin, Germany * Frank Kertscher IBM Watson, Germany * Nadine Schneider Novartis, Switzerland * Walter Thiel MPI Mülheim, Germany * Jörg K. Wegener Janssen Pharmaceutica, Belgium There will be sessions on: * Big Data and Deep Learning * Molecular Modelling * Chemical Information * Protein Modelling * Chemoinformatics and Drug Discovery * Simulations * Databases and Data Handling * Structure Determination * Material Sciences * Target and ADMETox prediction The scientific programme will include plenary and contributed lectures, posters and software presentations. The deadline for submissions of oral contributions and research telegrams is May 31, 2017. The deadline for poster submissions is August 30, 2017. See more details at http://www.gdch.de/gcc2017. Registration will open in May 2017 at: http://www.gdch.de/gcc2017 Hope to see you in Mainz, The organizers.

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RInChI 1.0 can be downloaded now
by Wendy Warr 25 Mar '17

25 Mar '17

The RInChI 1.0 release can now be downloaded from http://www.inchi-trust.org/downloads/ 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://www.warr.com<http://www.warr.com/> Skype: wendyannewarr Twitter: @WendyAnneWarr

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Re: [chemweb] Reactions symposium, ACS national meeting in Washington in August
by Wendy Warr 06 Mar '17

06 Mar '17

Colleagues, See message below. So far I have heard from only one potential speaker, but you all still have one month to submit an abstract. Please do give this some thought. Wendy What do synthetic chemists want from their reaction systems? CINF Symposium, ACS Washington, DC, August 20-24, 2017 Organizers: Wendy Warr and David Evans For this symposium we are seeking papers from chemists, librarians, publishers and software companies, on progress in reaction searching, reaction planning, synthesis design, retrosynthesis, and reaction prediction. We would especially welcome contributions from practicing synthetic chemists on their current needs, both met and unmet, and their frustrations with current systems. Over the past few years many of the main reaction database systems have undergone major upgrades. Many of the enhancements were in response to feedback from users: what did the users demand, and have their requirements been met? Computer-aided synthesis design programs are being more widely advertised, but it seems that practicing chemists are still skeptical. It would be good to see specific examples of how synthetic chemists have used the machine's rigor in harness with the chemist's intelligence, to design creative (and practical) syntheses. We are seeking relevant talks from all interested parties, but we want this symposium to be user-oriented. We are really seeking application-oriented talks, and critical comparisons and evaluation. We are now accepting abstracts submitted via the ACS MAPS system https://callforpapers.acs.org/dc2017/CINF. The deadline for submission of abstracts is April 10, 2017 when MAPS will close. If you do submit an abstract, please can you also email it to me. If you want to discuss your talk with us before submitting an abstract, or recommend another speaker, feel free to do so. (Contact me in the first place, since David is currently away.) Unfortunately, CINF cannot pay travel or subsistence expenses but they can offer a one-day registration fee in some cases, I believe. 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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