Cambridge Cheminformatics Newsletter, 21 March 2022

Dear All,

I would like to circulate some current Cheminformatics- (and related) news to everyone as follows – if you have information from your side for distribution please just let me know and I am happy to include it on the next occasion.

Please note that our next Berlin Digital Science for Drug Discovery Meeting will take place on 5 May 2022 and our next Cambridge Cheminformatics Meeting on 1 June 2022; please keep this as a placeholder for now, details will follow shortly.

Events

22 March 2022
InSilicoUK Virtual Clinical Trials Network launch
https://ktn-uk.org/events/insilicouk-network-launch

22 March 2022
Quantum Machine-Learning for Drug-like Molecules
https://valence-discovery.github.io/M2D2-meetings/

29 March 2022
Geometric Deep Learning for Drug Binding Structure Prediction
https://valence-discovery.github.io/M2D2-meetings/

5 April 2022
Sequential model optimization for combo-drug repurposing
https://valence-discovery.github.io/M2D2-meetings/

21 April 2022
RSC CICAG Open-Source Tools for Chemistry: PDBe Knowledge Base
https://www.eventbrite.com/e/open-source-tools-for-chemistry-tickets-294585512197

25/26 April 2022
Stanford Drug Discovery Symposium 2022
https://med.stanford.edu/cvi/events/2022-drug-discovery-conference.html

4 May 2022
Genomics England Research Summit
https://www.genomicsresearchsummit.co.uk/home

5 May 2022
Berlin Digital Science for Drug Discovery Meeting
http://digidrug.net/

12 May 2022
HIPS Symposium on pharmaceutical sciences devoted to infection research
http://www.hips.saarland/symposium/

19 May 2022
RSC CICAG Open-Source Tools for Chemistry: KLIFS Database
https://www.eventbrite.com/e/open-source-tools-for-chemistry-tickets-294585512197

1 June 2022
Cambridge Cheminformatics Meeting
http://c-inf.net/

23 June 2022
RSC CICAG Open-Source Tools for Chemistry: Scoring of shape and ESP similarity
https://www.eventbrite.com/e/open-source-tools-for-chemistry-tickets-294585512197

12-14 October 2022
11th RDKit UGM 2022
https://www.eventbrite.com/e/11th-rdkit-ugm-2022-tickets-289161448677

Vacancies

Europe

Lead Cheminformatics Scientist
Ro5
Barcelona, Spain
https://www.linkedin.com/jobs/view/2941916518/

Postdoc in deep learning (macrocyclic cell permeability)
Uppsala University and AstraZeneca
Uppsala, Sweden
https://www.linkedin.com/posts/nathan-poongavanam-3b60b78_postdoc-position-in-computational-chemistry-activity-6911650933894483969-XETW

PhD Studentship AI for Accelerated Chemical Discovery
Liverpool University and IBM Research
Liverpool, UK
https://www.liverpool.ac.uk/study/postgraduate-research/studentships/multi-fidelity-ai-accelerated-chemical-discovery/

Senior Cheminformatician
Healx
Cambridge, UK
https://boards.greenhouse.io/healx/jobs/5935974002?gh_src=a1a92bf62us

Computational Toxicologist
Sanofi
Frankfurt, Germany
https://www.linkedin.com/jobs/view/2979779802

Senior Scientist – Computer Aided Drug Design (CADD)
Roche
Basel, Switzerland
https://www.linkedin.com/jobs/search/?currentJobId=2930190668

Discovery Science Team Leader
CCDC
Cambridge, UK
https://ccdc.peoplehr.net/Pages/JobBoard/Opening.aspx?v=35c452d8-deec-4501-beaf-3b320ccf71f6

Computational Chemistry Drug Discovery Scientist
LifeArc
Stevenage, UK
https://www.lifearc.org/wp-content/uploads/2022/02/Computational-Scientist-Drug-Discovery-Job-Advert.pdf

PhD studentships, AI for Drug Discovery Doctoral Training Programme (UKRI-AIDD)
Queen Mary / ExScientia, SoseiHeptares, MSD
London, UK
https://www.qmul.ac.uk/deri/ukri-aidd-doctoral-training-programme/projects/

Scientist Computational Chemistry
Lundbeck
Copenhagen, Denmark
https://www.linkedin.com/jobs/view/2935076339

Scientist / Senior Scientist – Computational Chemistry
Dewpoint Therapeutics
Frankfurt, Germany
https://dewpointx.com/careers/scientist-sr-scientist-computational-chemistry-m-f-d/

(Associate/Senior) Director, Computer Aided Drug Design
Ridgeline Discovery
Basel, Switzerland
https://www.linkedin.com/jobs/view/2941445338

Chair in Digital Chemistry
Bristol University
Bristol, UK
https://www.bristol.ac.uk/jobs/find/details/?jobId=267360

Head of Molecular Design
Bayer
Wuppertal, Germany
https://www.linkedin.com/jobs/view/2969165519/

Artificial Intelligence Researcher
Synsight
Evry, France
https://www.linkedin.com/jobs/view/2875488725

Computational Chemist
AstraZeneca
Oss, The Netherlands
https://careers.astrazeneca.com/job/oss/computational-chemist-phd/7684/25306135120

DevOps Engineer
Evotec
Abingdon, UK
https://evotecgroup.wd3.myworkdayjobs.com/Evotec_Career_Site/job/Abingdon/DevOps-Engineer_REQ-04960

(Senior) Data Scientist – Cheminformatics
Pfizer
Cambridge, MA
https://www.linkedin.com/jobs/view/2956224335/
https://www.linkedin.com/jobs/view/2956227155/

Data Scientist, Computational Biology and Rx Creation
EQRx
Cambridge, MA
https://www.eqrx.com/job/data-scientist-computational-biology-and-rx-creation/

Cheminformatics …

PaRoutes
https://github.com/MolecularAI/PaRoutes
“PaRoutes is a framework for benchmarking multi-step retrosynthesis methods, i.e. route predictions”

GT4SD
https://github.com/GT4SD/gt4sd-core
“The GT4SD (Generative Toolkit for Scientific Discovery) is an open-source platform to accelerate hypothesis generation in the scientific discovery process. It provides a library for making state-of-the-art generative AI models easier to use.”

… beyond Cheminformatics …

“Deep Learning Is Hitting a Wall”
https://nautil.us/deep-learning-is-hitting-a-wall-14467/
(Or is it? Also see discussions on https://twitter.com/GaryMarcus/status/1501734523628707845)

“Machine Learning vs Statistics”
https://sgfin.github.io/2020/01/31/Comments-ML-Statistics/
A (non-)debate

… and clearly beyond Cheminformatics

Bloodywood – Machi Bhasad, and Aaj
https://www.youtube.com/watch?v=Gsy5sJy5_34
https://www.youtube.com/watch?v=kgvH6tX4Ej0
(Indian folk/metal… and pretty good I think!)

I believe 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 Cambridge Cheminformatics or Digital Science for Drug Discovery Meetings, please just let me know, cheers!

Best wishes,
Andreas

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