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…
Events
22 March 2023
Neural Causal Models – ELLIS Life / NCT Data Science Seminar
Heidelberg, Germany and Virtual Event
https://twitter.com/ellislifehd/status/1636745228337008641
29/30 March 2023
Research and Innovation 2023 – Accelerating Future Drug Discovery
Hinxton, UK
https://www.myeventflo.com/event.asp?evID=2475
20 April 2023
UK QSAR Spring 2023 Meeting
Hinxton, UK
https://ukqsar.org/index.php/2023/03/14/uk-qsar-spring-2023-meeting
24 May 2023
Berlin Digital Science for Drug Discovery Seminar – Save The Date!
Berlin, Germany and Online
http://digidrug.net
7 June 2023
Cambridge Cheminformatics Meeting – Save The Date!
Cambridge, UK and Online
http://c-inf.net
19-21 June 2023
Ninth Joint Sheffield Conference on Chemoinformatics – Registration Open!
Sheffield, UK
https://cisrg.shef.ac.uk/shef2023
6/7 July 2023
6th Machine Learning and AI in Bio(Chemical) Engineering Conference
Cambridge, UK
https://www.mabc-cambridge.ai
16-21 July 2023
Gordon Research Conference (GRC): Data Analytics and Computational Modeling for Next Generation Molecular Design
West Dover, VT
https://www.grc.org/computer-aided-drug-design-conference/2023
5 September 2023
German Conference on Cheminformatics
Leipzig, Germany
https://www.gdch.de/netzwerk-strukturen/fachstrukturen/computer-in-der-chemie-cic/cic-jahrestagung.html
20-22 September 2023
RDKit UGM
Mainz, Germany and Virtual Event
https://www.eventbrite.com/e/12th-rdkit-ugm-2023-tickets-566636253287
3/4 October 2023
What Drug Hunters need to know about Computational Chemistry
London, UK
https://www.soci.org/events/young-chemists-panel/2023/what-drug-hunters-need-to-know-about-computational-chemistry
Jobs
Senior Scientist – Molecular Representation Research
BristolMyersSquibb
Seville, Spain
https://www.linkedin.com/jobs/view/3483357909
Informatics Modeller
Unilever
Port Sunlight, UK
https://unilever.wd3.myworkdayjobs.com/Unilever_Experienced_Professionals/job/Port-Sunlight-Research-Lab/Informatics-Modeller_R-51434-2
KTP Associate in Computational Chemistry
Newcastle University
Newcastle, UK
https://www.linkedin.com/jobs/view/3508781231
Cheminformatics – Senior Scientist
LifeArc
Stevenage or Edinburgh, UK
https://lifearc.livevacancies.co.uk/#/job/details/55
Director, Chemical Data Science
Vertex
Boston, MA
https://vrtx.wd5.myworkdayjobs.com/Vertex_Careers/job/Boston-MA/Director–Chemical-Data-Science_REQ-18248
Postdoc Positions, AI in Drug Discovery
University of Sheffield
Sheffield, UK
https://www.jobs.ac.uk/job/CYC933/research-associate-boehringer-ingelheim-project
https://www.jobs.ac.uk/job/CYC449/research-associate
Computational Chemistry Scientist
Angelini Pharma
Rome, Italy
https://www.linkedin.com/jobs/view/3520783425
Assistant Professor in Computational Chemistry / Data Science
Durham University
Durham, UK
https://durham.taleo.net/careersection/du_ext/jobdetail.ftl?job=23000245
Postdoc Residency Programme – Deep Learning for Science
Microsoft
Amsterdam, The Netherlands
https://careers.microsoft.com/us/en/job/1523421/Postdoc-Residency-Programme-Deep-Learning-for-Science
PhD Position – Computational Safety
University Cote d’Azur
Nizza, France
https://3ia.univ-cotedazur.eu/medias/fichier/sujet-phd-rouquie-vandewalle_1677685368765-pdf
PhD Position – Computational Reactivity and Property Prediction
University of Manchester
Manchester, UK
https://www.findaphd.com/phds/project/developing-and-applying-new-computational-methods-to-improve-the-understanding-of-the-reactivity-and-properties-of-boron-containing-molecules/?p156585
Assistants to the Data and Community Team – Summer Placements
Cambridge Crystallographic Data Centre (CCDC)
Cambridge, UK
https://ccdc.peoplehr.net/Pages/JobBoard/Opening.aspx?v=3a90cfc1-cd6d-4336-bfb9-233fef433e28
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 https://akademi.itu.edu.tr/badays/ 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”
https://adroitdi-sdfpro.com
Deepmatter.io – “Artificial intelligence for chemistry and materials”
https://www.deepmatter.io
Spreadsheets for data handling, on-the-fly model generation and beyond
Receptor.AI – “End-to-end drug discovery platform for precision medicine”
https://receptor.ai
A broad computational drug discovery platform available as SaaS
Cheminformatics…
ZINC-22 ─ A Free Multi-Billion-Scale Database of Tangible Compounds for Ligand Discovery
https://pubs.acs.org/doi/10.1021/acs.jcim.2c01253
Growing and growing further…
“Learning chemical intuition from humans in the loop”
https://doi.org/10.26434/chemrxiv-2023-knwnv-v2
https://github.com/microsoft/molskill
… beyond cheminformatics …
New Concepts in Drug Discovery – Special Issue 2023 of Current Opinion in Structural Biology
https://www.sciencedirect.com/journal/current-opinion-in-structural-biology/special-issue/10TZ2RG2G35
Several articles of possible interest
“Pharmaceutical blockbusters: the past, present, and future(?)”
https://atelfo.github.io/2023/02/26/pharmaceutical-blockbusters-the-past-present-and-future.html
On blockbusters, biologics, orphan drugs, and sticking power
The Shaky Foundations of Foundation Models in Healthcare
https://hai.stanford.edu/news/shaky-foundations-foundation-models-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”
https://www.theguardian.com/commentisfree/2023/mar/04/the-joy-of-mediocrity-we-need-hobbies-even-if-were-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,
Andreas