Cambridge Cheminformatics Newsletter, 14 October 2020

Dear All,

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

The dates for our Cambridge Cheminformatics Meetings next year have now been set – for 2021 we will have four meetings online (since attendance was excellent and international this way), with two additional meetings in person in Cambridge. The dates are as follows:

10 February 2021, 4pm (UK time), via Zoom
2 June 2021, 4pm (UK time), via Zoom
1 September 2021, 4pm (UK time), via Zoom
24 November 2021, 4pm (UK time), via Zoom

We will also have two meetings physically in Cambridge (the situation permitting) on the following dates (location TBC):

21 April 2021
13 October 2021

All future dates and details for registration are as usual listed on our website: http://c-inf.net/.

In particular, also the recording of the last meeting on 2 September meeting is online, and registration for the meeting on 25 November is now open (for the programme details also see below): http://www.drugdiscovery.net/ct5q.

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

5-26 October 2020
2020 Lhasa Limited Virtual Symposium: The Application of Adverse Outcome Pathways (AOPs) for Risk Assessment
https://www.lhasalimited.org/events/2020-lhasa-limited-virtual-symposium-the-application-of-adverse-outcome-pathways-aops-for-risk-assessment/7836

19/20 October 2020
Second Annual Conference on the State of Science on Development and Use of NAMs for Chemical Safety Testing
https://www.eventbrite.com/e/second-annual-conference-on-the-use-of-new-approach-methods-tickets-118991138699

21/22 October 2020
Fifth Annual CytoData Society Meeting
https://www.rxrx.ai/cytodata2020

2-4 November 2020
16th German Conference on Cheminformatics and SAMPL Satellite Workshop (online and nominal fee)
https://veranstaltungen.gdch.de/tms/frontend/index.cfm?l=10731&sp_id=2

10-12 November 2020
Open Data for Chemistry
https://www.rsc.org/events/detail/43179/open-data-for-chemistry

17/18 November 2020
National Symposium on Drug Repurposing for Future Pandemics
https://www.eventbrite.com/e/national-symposium-on-drug-repurposing-for-future-pandemics-tickets-120101828803

25 November 2020, 4pm
Cambridge Cheminformatics Meeting

Programme:

Zachary del Rosario, Visiting Assistant Professor, Olin College
“Assessing the frontier: Active learning, model accuracy, and multi-objective candidate discovery and optimization”
https://www.zdelrosario.com/

Konstantin Perikov, Chief Software Engineer. EPAM
“Efficient molecular similarity search using Elasticsearch”
https://github.com/MysterionRise

Registration open:
https://zoom.us/meeting/register/tJ0uceCprDgpG9LGnKBoCJfuv_LkgwW_gNPl

11/12 December 2020
2020 Machine Learning for Molecules Workshop (part of NeurIPS 2020)
https://ml4molecules.github.io/

18-21 May 2021
JRC Summer School on “Non-animal Approaches in Science: The Three R…evolution”

https://ec.europa.eu/jrc/en/event/conference/jrc-summer-school-non-animal-approaches-science-3

Vacancies

UK

Computational Chemist
Charnwood Molecular
Nottingham
https://www.charnwood-molecular.com/computational-chemist-required/

Molecular Modeller
University of Dundee
Dundee
https://www.jobs.ac.uk/job/CBS134/molecular-modeller

Drug Discovery Scientist
Healx
Cambridge
https://healx.io/careers/?gh_jid=4912321002&gh_src=ddf19de52us

Computational Biologist
GSK
Stevenage
https://uk.linkedin.com/jobs/view/computational-biologist-at-gsk-2167664473

Research and Applications Scientist
CCDC
Cambridge
https://www.ccdc.cam.ac.uk/theccdcprofile/careers/

World

Postdoctoral Fellow, Computational Chemistry & Chemoinformatics – Toronto, Ontario
Ontario Institute for Cancer Research
Ontario, Canada
https://www.recruitingsite.com/csbsites/oicr/JobDescription.asp?JobNumber=861935

Computer-Aided Drug Discovery/Computational Chemist
Novartis
Cambridge, MA
https://www.novartis.com/careers/career-search/job-details/296572BR

Cheminformatics…

Awesome Cheminformatics
https://github.com/hsiaoyi0504/awesome-cheminformatics

“Small Molecules of the Month” by Drug Hunter
http://drug-hunter.com/

Will Robotics, AI and Cloud Computing In Chemical Synthesis Save Drug Discovery? A Closer Look
http://www.drugdiscovery.net/2020/09/09/will-robotics-ai-and-cloud-computing-in-chemical-synthesis-save-drug-discovery-a-closer-look/

How to Lie With Computational Predictive Models in Drug Discovery
http://www.drugdiscovery.net/2020/10/13/how-to-lie-with-computational-predictive-models-in-drug-discovery/

‘Applied AI Letters’ – A New Journal With Emphasis on Real-World Validation
http://www.drugdiscovery.net/ilwp

… and beyond Cheminformatics …

Oliver Burkeman’s last column: the eight secrets to a (fairly) fulfilled life
https://www.theguardian.com/lifeandstyle/2020/sep/04/oliver-burkemans-last-column-the-eight-secrets-to-a-fairly-fulfilled-life

… and certainly beyond Cheminformatics

A Black Hole at the Center of Earth Plays the Role of the Biggest System of Telecommunication for Connecting DNAs, Dark DNAs and Molecules of Water on 4+N- Dimensional Manifold
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6910781/

This is all the information I would like to circulate on this occasion – if you would like to present at one of our next meetings, or have any information you would like me to include in this newsletter next time, please just let me know, thanks a lot!

Best wishes,
Andreas