Cambridge Cheminformatics Newsletter, 19 April 2021

Dear All,

I would like to circulate some current Cheminformatics (and related) news to everyone as follows – please note that our next Cambridge Cheminformatics Meeting will take place on 2 June at 4pm UK time, with details to be announced shortly (please save the date for now):

Events (generally online and free)

19/20 April 2021
Stanford Drug Discovery Conference
https://med.stanford.edu/cvi/events/2021-drug-discovery-conference.html

21 April – 24 June 2021
Open-Source Tools for Chemistry Workshops
(Chemical Structure Standardization; Docking with GNINA; Advanced DataWarrior)
https://www.eventbrite.com/e/open-source-tools-for-chemistry-workshops-tickets-143296615033

20-23 April 2021
Pistoia Alliance Conference: Collaborative R&D in Action
https://marketing.pistoiaalliance.org/collaborative-rd-in-action-april-2021

21 April 2021
AI3SD Winter Seminar Series: Targets
https://ai3sd-winter-series-210421.eventbrite.co.uk/

27 April 2021
UKQSAR & Chemoinformatics Society Spring Meeting 2021
https://twitter.com/ukqsar/status/1377210771629879297

29 April 2021
3rd International Mini-Symposium on Molecular Machine Learning 2021
https://www.uni-muenster.de/Chemie.oc/glorius/symposium_mml.html

30 April 2021
Transforming Digital Pathology
https://digi-base.co.uk/webinars/transforming-digital-pathology/

4-6 May 2021
Launching Drug Discovery from Huge Chemical Space
https://www.launching-drug-discovery-from-huge-chemical-space.org/

5 May 2021
Advances in Drug Discovery: From Human Genetic Signatures to Drug Targets
https://advancesindrugdiscovery.splashthat.com/sm/

25/27 May 2021
Immuno-Oncology Xchange East Coast 2021
https://www.hub-xchange.com/immuno-oncology-xchange-east-coast-2021

2 June 2021
Cambridge Cheminformatics Network Meeting
http://www.c-inf.net

16/17 June 2021
Cresset UGM 2021
https://www.cresset-group.com/about/events/cugm21/

22 June 2021
Milner Therapeutics Symposium
https://www.milner.cam.ac.uk/milnersymp21/

28-30 July 2021
JuliaCon 2021
https://juliacon.org/2021/tickets/

13-17 September 2021
EUROPIN Summer School on Drug Design
Vienna, Austria
https://pharminfo.univie.ac.at/summerschool/2021/

Vacancies

Europe

PhD Studentship in AI-assisted Medicinal Chemistry
TU Eindhoven
Eindhoven, The Netherlands
https://jobs.tue.nl/en/vacancy/phd-in-aiassisted-medicinal-chemistry-875303.html

Data Manager
ScreeningPort/Fraunhofer Institute for Translationale Medicine and Pharmacology
Hamburg, Germany
https://recruiting.fraunhofer.de/Vacancies/58307/Description/2

Research Fellow in Computational Chemistry
Southampton University
Southampton, UK
http://www.essexgroup.soton.ac.uk/vacancies.html

Senior Informatics Manager
Oxford University
Oxford, UK
https://stackoverflow.com/jobs/520633/senior-informatics-manager-university-of-oxford

Research Associate/Fellow in Computational Chemistry
University of Nottingham
Nottingham, UK
https://www.nottingham.ac.uk/jobs/currentvacancies/ref/SCI027521X1

PhD Studentship “Machine learning for sustainable chemistry”
University of Nottingham
Nottingham, UK
https://jobs.nottingham.ac.uk/SCI2009

Post-doctoral position in Computational Medicinal Chemistry
Istituto Italiano di Tecnologia
Genua, Italy
https://www.linkedin.com/jobs/view/2492068541

Postdoctoral Researcher in Analytical Environmental Cheminformatics
University of Luxemburg
Luxemburg
https://lu.talent.com/view?id=84b6e0aee89c&source=linkedin&utm_medium=linkedin

Lecturer in Data Science/Chemoinformatics
Sheffield University
Sheffield, UK
https://www.jobs.ac.uk/job/CEV094/lecturer-in-data-science

Discovery Data Manager
Bicycle Therapeutics
Cambridge, UK
https://bicycletherapeutics.ciphr-irecruit.com/Applicants/vacancy/2198/Discovery-Data-Manager

Bioinformatician, Scientific Programmer, DMPK Scientist (and others)
Healx
Cambridge, UK
https://healx.io/careers/#jobs-section

Research Scientist (Drug discovery and machine learning)
Rahko
London, UK
https://www.linkedin.com/jobs/view/2459223993/

Head of Data Science
Royal Society of Chemistry (RSC)
Cambridge, UK
https://www.linkedin.com/jobs/view/2479148621

Senior Computational Chemist
Sygnature
Nottingham, UK
https://www.linkedin.com/jobs/view/2475280079/

Principal Data Scientist, Data Scientist
Novo Nordisk
Malov, Denmark
https://www.linkedin.com/jobs/view/2442326253
https://www.linkedin.com/jobs/view/2481561123

Scientific Developer Cheminformatics
BASF
Ludwigshafen, Germany
https://www.linkedin.com/jobs/view/2464282841/

Biomolecular Modeler
Nostrum Biodiscovery
Barcelona, Spain
https://euraxess.ec.europa.eu/jobs/617114

Machine Learning Specialist
Selvita
Cracow, Poland
https://www.linkedin.com/jobs/view/2471985307/

Computational Chemist RNA Modelling
Evotec
Toulouse, France
https://www.linkedin.com/jobs/view/2436433768

Computational Chemist
AstraZeneca/Acerta
Oss, The Netherlands
https://www.linkedin.com/jobs/view/2446401876/

Information Data Scientist – Patent Analysis & Chemistry Search
Bayer
Wuppertal, Germany
https://www.linkedin.com/jobs/view/2469590205

Computational Chemist
Drug Discovery Unit (DDU), University of Dundee
Dundee, Scotland
https://www.jobs.dundee.ac.uk/fe/tpl_uod01.asp?s=4A515F4E5A565B1A&jobid=104698,1223345621

World

Associate Director of Data Science
Merck
Kenilworth, NJ
https://msd.wd5.myworkdayjobs.com/SearchJobs/job/USA—New-Jersey—Kenilworth/Global-Data-Science–Associate-Director-of-Data-Science_R75402

Computational Chemistry Lead
Lifeline
Cambridge, MA
https://lifeminetx.com/opportunities-at-lifemine/?gh_jid=5161807002

Applied Computational Toxicologist
GSK
Upper Providence, PA, or Ware, UK
Pennsylvania,
https://www.mygwork.com/en/jobs/gsk-applied-computational-toxicologist/detail/702149/5040

Cheminformatics

Chemotion – a free ELN/research data repository
https://chemotion.net/
https://www.chemotion-repository.net/welcome
(As the title says – managing lab data, a topic solved but not solved yet at the same time!)

Target predictions in the browser with RDKit MinimalLib (JS) and ONNX.js
https://chembl.blogspot.com/2021/03/target-predictions-in-browser-with.html
(Good to see how analyses of bioactivity data are getting more seamless, and more easy to integrate)

Mapping Chemical Space with UMAP
https://blog.reverielabs.com/mapping-chemical-space-with-umap/
(One of the ‘evergreen’ topics of cheminformatics, mapping chemical space, here in a blog post which is very well-explained and illustrated)

… beyond Cheminformatics ….

I have been reading a bit around the article posted last time, on A Decade of FDA-Approved Drugs (2010–2019) (https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c01516), which is of course a good summary from the chemical side. So now we have e.g. more orphan and antibacterial drugs; what could current developments mean for pharma as a business model on the whole though? A collection of references I have come across in this regard which may be of wider interest, provided here without further comment for individual perusal:

Pharma’s broken business model: An industry on the brink of terminal decline (by Kelvin Stott)
https://endpts.com/pharmas-broken-business-model-an-industry-on-the-brink-of-terminal-decline/

Pharma’s broken business model – Part 2: Scraping the barrel in drug discovery (by Kelvin Stott)
https://www.linkedin.com/pulse/pharmas-broken-business-model-part-2-scraping-barrel-kelvin-stott/

Too many cancer drugs? Crowded market gives investors pause (by Ben Hirschler)
https://www.reuters.com/article/us-health-cancer-pharmaceuticals-insight/too-many-cancer-drugs-crowded-market-gives-investors-pause-idUSKBN1I31EX

Is the FDA Too Conservative or Too Aggressive? (by Alex Tabarrok)
https://marginalrevolution.com/marginalrevolution/2015/08/is-the-fda-too-conservative-or-too-aggressive.html
(also of relevance to the current discussions about the safety of Covid vaccines of course)

Value-based drug pricing is one trend we might see more of in the future:

Implementation of Value-based Pricing for Medicines
https://pubmed.ncbi.nlm.nih.gov/31882225/

… but how to ‘value’ benefit of a drug, beyond the patient, also to the healthcare system and society?

The offset effect of pharmaceutical innovation: A review study
https://journals.sagepub.com/doi/full/10.1177/2284240319875108

.. and certainly beyond Cheminformatics

‘Bringing the Polish Cyclometer back to life’, 29 April 2021, King’s College
https://us02web.zoom.us/webinar/register/WN_LTefhqVfTfS5eog8-Lh1Pw
(The ‘Polish Cyclometer’ preceded the work of Turing for breaking Enigma; less well known, but probably not less important)

I believe that this is all from my side for now – if you have any information for me to circulate, or wish to present at one of our next Cheminformatics Meetings, please just let me know please, cheers!

Best wishes,
Andreas

Leave a Reply

Your email address will not be published. Required fields are marked *