I would like to circulate some current Cheminformatics- (and related) news to everyone as follows.
In particular I would like to point out our next Berlin Digital Science for Drug Discovery Seminar which will take place on 19 October 2022 (Wednesday next week!) – please see http://digidrug.net/ (and below) for details, and we look forward to welcoming you at this event.
If you have information from your side for distribution please just let me know, and I am very happy to include it on the next occasion.
So here we go…
19 October 2022
Berlin Digital Science for Drug Discovery Seminar
De Novo Design 2.0: Challenges and Opportunities
Nadine Schneider, Novartis
Simulation and Machine Learning as Complementary Tools for Drug Design
Matteo Aldeghi, Google Research
Registration Open via Zoom: https://zoom.us/meeting/register/tJEtdeusrzksHdBCRTwcFn3kL4bQ_7_7kcJb
19/26 October and 2 November 2022
Biodata and AI in Drug Discovery Webinar 1: AI and machine learning for drug development
20 October 2022
Perspectives on Generative Chemistry — Potential and Reality
2 November 2022
Cambridge New Therapeutics Forum (CamNTF) Meeting
8 November 2022
UK QSAR Autumn 2022 Meeting
16/17 November 2022
Neo4j Nodes 2022
24/25 November 2022
Virtual School of Chemoinformatics in Latinamerica
25 November 2022
Young Modellers’ Forum 2022
2 December 2022
NeurIPS Workshop on Gaussian Processes, Spatiotemporal Modeling, and Decision-making Systems
15-17 December 2022
8th International BAU Drug Design Congress 2022
Senior Research and Data Scientist, AI and Cheminformatics Solutions
Postdoc: Quantum Mechanical Descriptors for Pharmaceutical Molecular Property Prediction
University of Luxemburg
Cheminformatician, Cloud/Data Engineer, Others
PangeAI, part of Pangea Botanica
London, UK or Berlin, Germany
Associate Principal Scientist / Senior Research Scientist – Computational Chemistry
Senior Scientist/Associate Director, Computational Chemistry
United States (Remote)
Cheminformatics 3-6 Months Paid Internship (MSc or PhD level) – Predicting Covalent Drugs and Their Targets
Cambridge, UK / Remote UK
Post Doc Position in Computer-Aided Drug Design
Postdoc Artificial Intelligence/Pharmacogenomics
Amsterdam, The Netherlands
Postdoctoral Fellowship – Protein Science Machine Learning
As a follow-up to our last meeting where James was presenting: If you have any questions relating to hiring, making a career move or would just like a general discussion about the market and opportunities in AI/ML Drug Discovery focused biotechs then please contact james.thompsonskillsalliance.com
1st EUOS/SLAS Joint Challenge: Compound Solubility
“Datamol is an elegant, rdkit-powered python library to perform computational tasks on molecules”
3rd In Silico Toxicology Conference 2022 – Recordings Now Online
“DiffDock, new non-Euclidean diffusion for molecular docking”
“Do Current Multi-Task Optimization Methods in Deep Learning Even Help? Nope.”
“EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation”
… beyond Cheminformatics …
State of AI Report 2022
Is there evidence for exponential quantum advantage in quantum chemistry?
“We conclude that evidence for such an advantage across chemical space [for ground-state energy estimation] has yet to be found.”
Biopharmaceutical R&D outsourcing: Short-term gain for long-term pain?
Or: How to position your start-up
Association of Research and Development Investments With Treatment Costs for New Drugs Approved From 2009 to 2018
Research costs seem to be an insufficient justification for high drug prices
Statistical Modeling: The Two Cultures
by Leo Breiman
No, AI probably won’t revolutionize drug development
The tide is … turning?
Algorithms for Decision Making
AlphaTensor discovers more efficient ways of matrix multiplication
… but maybe stability of the algorithm matters as well in practice?
… and clearly beyond Cheminformatics
Novel key trend in -omics data
We still need the appropriate ontologies in this field though
Were you a ‘parentified child’? What happens when children have to behave like adults
Being a child was probably easy for only few of us; luckily life tends to get easier when you get older
If you miss Britain… this will give you a proper dose of it again!
“Es regnet Bier”, by Haematom
“It’s raining beer” – probably one of the most ‘eclectic’ music videos I have come across yet
Nusrat Fateh Ali Khan x Andre Antunes
Pakistani Folk Song/Metal Cross-Over
The impact of coffee subtypes on incident cardiovascular disease, arrhythmias, and mortality: long-term outcomes from the UK Biobank
Make sure to have at least 2-3 cups of coffee every day (but better actually 4-5 if you wish to reduce your arrhythmia risk in particular)!
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 and have a good weekend everyone,