Nils Weskamp

Post Doc - Pharmacokinetic Profile Prediction Post Doc - Pharmacokinetic Profile Prediction

We are hiring a PostDoc! If you‘re interested in chemoinformatics, QSAR, AI/ML or PK/PD modelling and want to contribute to the discovery of new medicines, this is your chance!

jobs.boehringer-ingelheim.com/job/Biberach...

#Chemsky #ChemJobs #Postdoc

We are excited to share with you the updated program of the Aithyra Symposium "AI for Life Science", 8-10 September 2025 in Vienna, now also featuring Nobel Laureate Frances H. Arnold as keynote speaker.

Registration is open under the following link
cemm.at/aithyra-symp...

Apply for the AITHYRA-CeMM International PhD Program!

15-20 fully funded PhD fellowships available in Vienna, AT
in AI/ML and Life Sciences

Deadline for applications:
10 September 2025 apply.cemm.at

Thank you very much for the great organisation! Meetings like this are very valuable - I had many interesting interactions and learned a a few things.

PhD Course in Medicinal and Process Chemistry PhD Course in Medicinal and Process Chemistry

Are you a PhD student in Chemistry & want to

👉Gain insights into drug discovery & development
👉Discuss your research with experts
👉Get a behind-the-scenes look at our research facilities

Travel & accommodation will be covered. Apply at
jobs.boehringer-ingelheim.com/job/Biberach...

#ChemSky

Join us in Vienna on Sep 8-10 with an incredible speaker lineup!

Next week we will be at ICLR in Singapore, presenting 8 papers in the main conference as well as in multiple workshops. For anyone interested, I will be glad to talk about PI positions at Aithyra (spoiler: we offer some of the best conditions in Europe)

If you are not posting an AI-generated action figure picture of yourself these days, you are clearly not doing it right.

Scientific Director Computational Chemistry (m/f/d) Scientific Director Computational Chemistry (m/f/d)

Are you a passionate drug hunter and an inspirational leader with a background in computational chemistry? So you want to make a difference in cancer research?

Then this could be for you: jobs.boehringer-ingelheim.com/job/Vienna-S...

#ChemJobs #EuChemJobs #ChemSky #CompChem

Dunning-Kruger effect?

How would you leverage AI/ML techniques to create and integrate 3D-generative models with potency predictions in drug design?

We have an open PostDoc position in this field and would love to see you application!

#ChemSky #ChemJobs #PostDoc

www.opnme.com/opn2talents/...

Predicting Pharmacokinetics in Rats Using Machine Learning: A Comparative Study Between Empirical, Compartmental, and PBPK‐Based Approaches A successful drug needs to combine several properties including high potency and good pharmacokinetic (PK) properties to sustain efficacious plasma concentration over time. To estimate required doses...

Integrating AI/ML-based approaches with mechanistic modelling has lot of potential for molecule design in drug discovery. Happy to see this published!

doi.org/10.1111/cts....

#ChemSky #MedSky

Post Doc - Machine Learning Post Doc - Machine Learning

We are searching for PostDocs! If you are interested in Bayesian optimization, generative AI & lab automation, please take a look!

jobs.boehringer-ingelheim.com/job/Ingelhei...
jobs.boehringer-ingelheim.com/job/Ingelhei...
jobs.boehringer-ingelheim.com/job/Ingelhei...

#chemjobs #postdoc #chemsky

This is a great opportunity to help shape a new academic research institute and to contribute to an emerging field that needs all the brain power it can get!

Senior / Principal Scientist Computational Chemistry Senior / Principal Scientist Computational Chemistry

Come work with my amazing colleague Xavier Barril and help us design great molecules!

#chemsky #chemjobs #compchem #euchemjobs

jobs.boehringer-ingelheim.com/job/Biberach...

Associate Director - Global Medicinal Chemistry Associate Director - Global Medicinal Chemistry

We are searching for an experienced leader in Medicinal Chemisty! Are you ready to take over the responsibility for a group of scientists, their labs and a portfolio of projects in Immunology and Respiratory?

jobs.boehringer-ingelheim.com/job/Biberach...

#chemjobs #chemsky #euchemjobs

Better than spending 28bn on an IT system that does the same thing and is ten years late. 😂

Principal Scientist - Medicinal Chemistry Animal Health Principal Scientist - Medicinal Chemistry Animal Health

We are searching for an experienced Medicinal Chemist in Biberach, Germany. The position is located in a small, agile team focusing on Animal Health (as part of a larger MedChem department).

You might have to listen to my synthesis ideas. 😀

#ChemSky

jobs.boehringer-ingelheim.com/job/Biberach...

Today, we’re excited to welcome Nicola Richmond (@recursionpharma.bsky.social), Michael Reutlinger (Roche), and Nils Weskamp (@boehringerglobal.bsky.social) to the Small Molecule Steering Committee at Polaris!

Learn more about what the steering committee is up to: polarishub.io/guidelines

Looking for a #datascience / #drugdiscovery #postdoc on the interface between academia and industry? Check this out: ventures.yale.edu/news/applica...

Senior / Principal Scientist - Omics Engineering Senior / Principal Scientist - Omics Engineering

A few job openings in the CompBio and Digital Sciences Department at Boehringer:
* Omics Engineering (Biberach/South of Germany) - jobs.boehringer-ingelheim.com/job/Biberach...
* Senior Data Scientist (Biberach/South of Germany) - jobs.boehringer-ingelheim.com/job/Biberach...

Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data Communications Chemistry - Machine learning offers great promise for fast and accurate binding affinity predictions, however, current models lack robust evaluation and fail on tasks encountered in...

Very nice to see the work of Matt Warren and Isak Valsson just out with Charlotte Deane, Aniket Magarkar and @garrettmm.bsky.social where we show how augementation can dramatically improve ML affinity predictions to close to FEP accuracy.

rdcu.be/d88Wm

Return to Flatland - Nature Reviews Chemistry Fifteen years ago, an analysis of drug molecules moving through the stages of clinical development suggested that increased three-dimensional character was a marker of greater success. Now, we perform...

"Drug discovery & development continues to be challenging, and despite a desire to find short cuts, guides, mnemonics, and simple predictive parameters as surrogates for clinical success, we must continue to critically assess how useful these methods are."

www.nature.com/articles/s41...

#ChemSky

In my experience, pentavalent carbons serve this purpose pretty well.

AI in small-molecule drug discovery: a coming wave? Discover the world’s best science and medicine | Nature.com

There are several compounds in the clinic which may or may not meet your definition of "AI-discovered" and may or may not impress you: www.nature.com/articles/d41....

The Jungle of Generative Drug Discovery: Traps, Treasures, and Ways Out "How to evaluate de novo designs proposed by a generative model?" Despite the transformative potential of generative deep learning in drug discovery, this seemingly simple question has no clear answer...

If you use generative #DeepLearning for molecule design, check out our latest work, where we perform a large scale analysis (~1 B designs!) and find ‘traps’, ‘treasures’ and ‘ways out’ in the jungle of generative drug discovery.
🌴 🐒

Paper: arxiv.org/abs/2501.05457
Code: github.com/molML/jungle...

The unbearable slowness of being: Why do we live at 10 bits/s? This article is about the neural conundrum behind the slowness of human behavior. The information throughput of a human being is about 10 bits/s. In c…

To augment human intelligence with digital tools, we must understand what the human brain is great at and where it has limitations. This paper estimates that human behavior happens at 10 bits per second, so processing information at scale should be on the list: www.sciencedirect.com/science/arti...

Online Symposium on Molecular Machine Learning on January 16th, organized by the Glorius Group at @unimuenster.bsky.social - with @fjduarte.bsky.social, @kulikgroup.bsky.social, Bingqing Cheng, Matthew Sigman: www.uni-muenster.de/Chemie.oc/gl.... Registration is free and highly recommended!

Narrative stories as mediators for serial learning - Psychonomic Science Subjects learned 12 serial lists of 10 nouns by one of two methods: a control method of normal study and rehearsal, or a narrative-chaining method, where S was instructed to construct a meaningful sto...

Before you put your next presentation together, you should have a look at this classic paper. If you want the audience to remember what you said, it has to be a story.

#Storytelling #ScienceCommunication

link.springer.com/article/10.3...

This is a good one! I also found „The AI-Savvy Leader“ by David De Cremer and „Rewired“ by Eric Lamarre and others quite useful.