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Cambridge Cheminformatics Newsletter, 19 August 2021

Dear All,

I would like to circulate some current Cheminformatics (and related) news which has recently reached me to everyone as follows:

Events

26 August 2021
“Characterising the unbound state of drug-like compounds”
Nicolas Foloppe, CCPBioSim Talk
https://www.ccpbiosim.ac.uk/binding2021

1 September 2021
Cambridge Cheminformatics Meeting
http://www.c-inf.net

“Computational Prediction of Allosteric Sites in GPCRs”
Irina Tikhonova, Queen’s University Belfast
https://pure.qub.ac.uk/en/persons/irina-tikhonova

“DECIMER: Deep Learning for Chemical Image Recognition”
Chris Steinbeck, University of Jena
https://cheminf.uni-jena.de/
https://jcheminf.biomedcentral.com/articles/10.1186/s13321-020-00469-w

“Probabilistic Random Forests for Target Prediction”
Marianna Trapotsi and Lewis Mervin
University of Cambridge and AstraZeneca
https://chemrxiv.org/engage/chemrxiv/article-details/60c75862bdbb897fa4a3ad59

Registration open at https://zoom.us/meeting/register/tJEtcuysqTojEtKQhtT5zh5bhk9tSIJtp19K

9 September 2021
Digital Science for Drug Discovery – A Berlin Seminar Series
http://www.DigiDrug.NET

“Single-sequence structure prediction in a post-AlphaFold2 world”
Mohammed AlQuraishi
https://systemsbiology.columbia.edu/faculty/mohammed-alquraishi
https://moalquraishi.wordpress.com/

“Challenges and Opportunities for Machine Learning in Drug Discovery”
Pat Walters, Relay Therapeutics
https://relaytx.com/our-team/pat-walters-ph-d/
http://practicalcheminformatics.blogspot.com/

Registration open at: https://zoom.us/meeting/register/tJwqc-qppzksEtMa2DZzYhPTnBbKWu2T2YjL

27-28 September 2021
AI in Chemistry 2021
https://www.maggichurchouseevents.co.uk/bmcs/AI_2021.htm

14 October 2021
UK QSAR Meeting
Call for Posters at
https://docs.google.com/forms/d/e/1FAIpQLSeoqEujU-nmSmGi4XGLWlkpgljFmxAOHnl19WFmqltoPbg5dw/viewform
Registration open at
https://docs.google.com/forms/d/e/1FAIpQLSdcLZekBL3C84qXIbwQKfJufBsK7qgmADQ0EofR78zG7_4eVQ/viewform

Vacancies

Associate Director Computational Chemistry, Digital Drug Development Sciences Experts
Boehringer-Ingelheim
Biberach, Germany
https://www.linkedin.com/jobs/view/2621695396

Senior Bio-/Cheminformatician
Merantix
Berlin, Germany
https://merantix.join.com/jobs/2627743-senior-bio-cheminformatician

Computational Biology Research Group Leader
Institut Pasteur
Paris, France
https://research.pasteur.fr/en/call/creation-of-new-research-groups-in-computational-biology-at-institut-pasteur-paris-france/

Professor in Artificial Intelligence for Drug Discovery
TU Munich and Helmholtz Centre Munich
Munich, Germany
https://portal.mytum.de/jobs/professuren/NewsArticle_20210809_093224

PhD student and Researcher in Computational Chemistry/Biology
Uppsala University
Sweden
https://www.uu.se/en/about-uu/join-us/details/?positionId=413745
https://www.uu.se/en/about-uu/join-us/details/?positionId=412842

PhD Studentship Biomedical Knowledge Graphs
Sheffield University
Sheffield, UK
https://www.findaphd.com/phds/project/analysis-and-development-of-graph-embedding-techniques-for-biomedical-knowledge-graphs/?p134159

Data Scientist – Drug Design & Augmented Intelligence
Johnson&Johnson
Beerse, Belgium
https://jobs.jnj.com/jobs/2105943779W

Computational Chemist
Celeris Therapeutics
Graz, Austria
https://www.linkedin.com/jobs/view/2685887167

Cheminformatician, Computational Systems Biologist (and other positions)
Healx
Cambridge, UK
https://healx.io/careers/#jobs-section

Cheminformatics and ML/AI expert
Bayer
Lyon, France
https://www.linkedin.com/jobs/view/2656731638/

ML Engineer (Chemistry)
insitro
Cracow, Poland
https://www.linkedin.com/jobs/view/2675387297

AI Engineer
Turbine
Budapest, Hungary
https://www.linkedin.com/jobs/view/2679032677

Software Engineer, Biomedical AI
GlaxoSmithKline
Berlin/Dresden/Hamburg/Munich/Home Office
https://jobs.gsk.com/en-gb/jobs/292407?lang=en-us

Senior Computational Chemist – Team manager
Evotec
Toulouse, France
https://www.linkedin.com/jobs/view/2656796845

Computational Structural Biologist
Lonza
Cambridge, UK
https://www.lonza.com/jobs/R33311

Principal Data Scientist
BMS
USA (Various Locations)
https://careers.bms.com/jobs/R1544376?lang=en-us&previousLocale=en-US

Cheminformaticsโ€ฆ

“Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool
https://jcheminf.biomedcentral.com/articles/10.1186/s13321-021-00526-y
A nice new approach to understand chemical scaffolds in datasets better

How to Predict Absolute Likelihoods of Ligand-Target Bioactivity, and How to Take Experimental Noise Into Account During Model Generation? An Interview With the Authors
http://www.drugdiscovery.net/2021/08/17/how-to-predict-absolute-likelihoods-of-ligand-target-bioactivity-and-how-to-take-experimental-noise-into-account-during-model-generation-an-interview-with-the-authors/

โ€ฆ and beyond cheminformatics

TELFAR X LIBERIA – How Liberia changed Olympic fasion
https://www.nytimes.com/interactive/2021/07/23/style/telfar-liberia-olympic-team.html?smtyp=cur&smid=tw-nytimes
Quite a beautiful read

I believe this is all from my side for now โ€“ 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

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