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Cambridge Cheminformatics Newsletter, 20 March 2023

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!

So here we go…


22 March 2023
Neural Causal Models – ELLIS Life / NCT Data Science Seminar
Heidelberg, Germany and Virtual Event

29/30 March 2023
Research and Innovation 2023 – Accelerating Future Drug Discovery
Hinxton, UK

20 April 2023
UK QSAR Spring 2023 Meeting
Hinxton, UK

24 May 2023
Berlin Digital Science for Drug Discovery Seminar – Save The Date!
Berlin, Germany and Online

7 June 2023
Cambridge Cheminformatics Meeting – Save The Date!
Cambridge, UK and Online

19-21 June 2023
Ninth Joint Sheffield Conference on Chemoinformatics – Registration Open!
Sheffield, UK

6/7 July 2023
6th Machine Learning and AI in Bio(Chemical) Engineering Conference
Cambridge, UK

16-21 July 2023
Gordon Research Conference (GRC): Data Analytics and Computational Modeling for Next Generation Molecular Design
West Dover, VT

5 September 2023
German Conference on Cheminformatics
Leipzig, Germany

20-22 September 2023
Mainz, Germany and Virtual Event

3/4 October 2023
What Drug Hunters need to know about Computational Chemistry
London, UK


Senior Scientist – Molecular Representation Research
Seville, Spain

Informatics Modeller
Port Sunlight, UK

KTP Associate in Computational Chemistry
Newcastle University
Newcastle, UK

Cheminformatics – Senior Scientist
Stevenage or Edinburgh, UK

Director, Chemical Data Science
Boston, MA–Chemical-Data-Science_REQ-18248

Postdoc Positions, AI in Drug Discovery
University of Sheffield
Sheffield, UK

Computational Chemistry Scientist
Angelini Pharma
Rome, Italy

Assistant Professor in Computational Chemistry / Data Science
Durham University
Durham, UK

Postdoc Residency Programme – Deep Learning for Science
Amsterdam, The Netherlands

PhD Position – Computational Safety
University Cote d’Azur
Nizza, France

PhD Position – Computational Reactivity and Property Prediction
University of Manchester
Manchester, UK

Assistants to the Data and Community Team – Summer Placements
Cambridge Crystallographic Data Centre (CCDC)
Cambridge, UK

Consultancy Services Available

Dr. Sefer Baday has more than 15 years of experience in molecular modeling, molecular simulations and drug discovery research. He offers consulting services in small molecule and peptide design using structure-based drug discovery (docking, pharmacophore search etc.) and artificial intelligence methods. Particular services are drug repurposing, hit identification, lead optimization, target identification, virtual screening and ADME/T predictions. Please see for more details and contact information.

StartUp Corner – some current companies and products of possible interest

SDF Pro – “Structuring chemical & biological “big data” creating integrity for future AI” – “Artificial intelligence for chemistry and materials”
Spreadsheets for data handling, on-the-fly model generation and beyond

Receptor.AI – “End-to-end drug discovery platform for precision medicine”
A broad computational drug discovery platform available as SaaS


ZINC-22 ─ A Free Multi-Billion-Scale Database of Tangible Compounds for Ligand Discovery
Growing and growing further…

“Learning chemical intuition from humans in the loop”

… beyond cheminformatics …

New Concepts in Drug Discovery – Special Issue 2023 of Current Opinion in Structural Biology
Several articles of possible interest

“Pharmaceutical blockbusters: the past, present, and future(?)”
On blockbusters, biologics, orphan drugs, and sticking power

The Shaky Foundations of Foundation Models in Healthcare
“Scholars detail the current state of large language models in healthcare and advocate for better evaluation frameworks.”

… and clearly beyond cheminformatics

“The joy of mediocrity: we need hobbies, even if we’re bad at them, to free us from perfection”

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,


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