Cambridge Cheminformatics Newsletter, 21 December 2020

Dear All,

I would like to circulate some recent Cheminformatics (and related) news to everyone as follows:

Events (times where given are UK time; generally online and free)

22 December 2020, 4pm
“Looking back at Cheminformatics and ChEMBL”
Talk by Andrew Dalke
https://www.macinchem.org/blog/files/cb1c88b5e9da2351ccda13e9036ece6c-2697.php

13 January 2021, 4pm
Gateway to Translation (G2T) webinar: Evaluating the Utility of Machine Learning and AI in Antibiotic Drug Discovery
https://www.eventbrite.co.uk/e/the-use-of-machine-learning-and-ai-in-drug-design-tickets-128617407127

14 January 2021
Symposium Molecular Machine Learning (MML) 2021
https://www.uni-muenster.de/Chemie.oc/glorius/symposium_mml.html

3 February 2021, 2pm
AI3SD Winter Seminar Series: Graphs, Networks & Molecules
https://ai3sd-winter-series-030221.eventbrite.co.uk

10 February 2021, 4pm
Cambridge Cheminformatics Meeting
Registration open!
https://zoom.us/meeting/register/tJwrceqhqzotGNJJBt_PA-aAO1Ux5qQmeDMM

“KLIFS: making kinase structures work”
Albert Kooistra, Copenhagen University
https://klifs.net

“Reverse Fingerprints. Application to Structural Motif Detection, Atomic Activity, and building Pharmacophore Queries”
Andrew Henry, Chemical Computing Group
https://svl.chemcomp.com/

“Mixtures InChI (MInChI): an open machine-readable format for representing mixed substances”
Alex Clark, Collaborative Drug Discovery
https://jcheminf.biomedcentral.com/articles/10.1186/s13321-019-0357-4

12 February 2021
Young Modellers’ Forum 2021
https://www.mgms.org/WordPress/conferences/ymf-2020-21/

5-16 April 2021
Spring 2021 Virtual ACS Meeting
“Machine Learning and AI Techniques in Drug Discovery”
“AI meets Cheminformatics”
(and other sessions, please see website)
Call for papers open until 19 January 2021
https://callforabstracts.acs.org/acsspring2021/CINF

7-10 June 2020
QSAR 2021: From QSAR to New Approach Methodologies (NAMs)
Call for papers open until 30 January 2021
http://www.qsar2021.org

Vacancies

UK

Team Lead – Computational Chemistry
CRUK Beatson Institute for Cancer Research
Glasgow
https://www.nature.com/naturecareers/job/team-lead-computational-chemistry-cruk-beatson-institute-for-cancer-research-732722

Computational Toxicologist / Data Analyst
GlaxoSmithKline
Ware
https://gsk.wd5.myworkdayjobs.com/GSKCareers/job/UK—Hertfordshire—Ware/In-Silico-Toxicologist_269135-1

CADD Senior Scientist
UCB
Slough
https://www.linkedin.com/jobs/view/2326250648

Computational Scientist
Unilever
Colworth
https://careers.unilever.com/uk/en/job/URUVGLOBAL2865/Computational-Scientist

Cheminformatics Scientist, Senior Computational Systems Biologist (and others)
Healx
Cambridge
https://healx.io/careers/?gh_jid=4863036002

Protein Informatician
Mellizyme
Liverpool
http://www.drugdiscovery.net/data/mellizyme.pdf

Senior Data Scientist / Informatician
AstraZeneca
Cambridge
https://www.linkedin.com/jobs/view/2337852884

Lecturer in Chemoinformatics
Sheffield University
Sheffield
https://www.jobs.ac.uk/job/CDB839/lecturer-in-chemoinformatics

Head of Data Science
The Brain Tumor Charity
Fleet
https://www.linkedin.com/jobs/view/2348956590/

Europe

Master’s Trainee in Cheminformatics
Evotec
Toulouse, France
https://www.linkedin.com/posts/obdulia-rabal-62b96625_masters-trainee-cheminformatics-evotec-toulouse-activity-6744336536579403776-TstT

Bioinformatics/Data Scientist
ScreeningPort/Fraunhofer Institute
Hamburg, Germany
https://recruiting.fraunhofer.de/Vacancies/56045/Description/2

Computational Modelling Expert
Merck
Darmstadt, Germany
https://www.linkedin.com/jobs/view/2337516413

Prof. Peter Kolb of Marburg University is looking for postdocs to launch their independent career supported by an AI-specific call of the Emmy Noether program. Compatibility with Prof. Kolb’s own topics (computational design of GPCR ligands) is desirable. Interested candidates can contact Peter at peter.kolb@uni-marburg.de.
Call: https://www.dfg.de/en/research_funding/announcements_proposals/2020/info_wissenschaft_20_83/index.html
Lab: http://www.kolblab.org

World

Data Scientist/Computational Toxicologist Safety Assessment
Genentech
San Francisco, Californa
https://www.gene.com/careers/detail/202011-128884/Data-Scientist-Computational-Toxicologist-Safety-Assessment

Cheminformatics

UK QSAR Meeting 15 October 2020 – Recordings now available
http://ukqsar.org/index.php/2020/12/09/ukqsar-autumn-2020-meeting-15th-october-2020-virtual-meeting-hosted-by-the-medicines-discovery-catapult/

Blog recommendation: Cheminformatics 2.0 (by Alex Clark)
https://cheminf20.org/

… beyond Cheminformatics ….

AlphaFold2 @ CASP14: “It feels like one’s child has left home.” (by Mohammed AlQuraishi)
https://moalquraishi.wordpress.com/2020/12/08/alphafold2-casp14-it-feels-like-ones-child-has-left-home/
(comments on the recent success of AlphaFold2)

… and certainly beyond Cheminformatics

Given it’s this time of the year again, here comes my favourite song for the ‘Festive Season’, ‘Christmas In Hollis’ by Run-D.M.C.:
https://www.youtube.com/watch?v=OR07r0ZMFb8

And finally a personal announcement: My family and I will soon be moving back to Berlin, at the end of January next year. For me this means moving ‘home’, after 20 years abroad – in Ireland, the UK, the US, the Netherlands, and most recently in the UK for a second time. I will retain a part-time position with Cambridge University for several years to come, in order for my current group members to finish their degrees properly, as well as to continue research collaborations. I would like to thank everyone for the excellent time I was allowed to have in Cambridge and which I am truly grateful for. Whether you are based in Cambridge or Berlin (or also elsewhere), please just get in touch if you would like to discuss science (or anything else) – and from February onwards also if the future brings you to Berlin, I would be very happy to show you around town.

Have a good Christmas/New Year break, and talk to you again in 2021!

Best wishes,
Andreas

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