iiinova — where your digital self keeps evolving

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Clare Hall, University of Cambridge @clarehallcambridge.bsky.social · 06/05/2025

Former Clare Hall PhD student @srijitseal.com has recently led a landmark collaboration between over 30 scientists to outline the essential pillars for using machine learning (ML) to predict chemical toxicity. Read more ⬇️ www.clarehall.cam.ac.uk/news/dr-srij...

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 06/05/2025

So, you want to replace animal models with AI? We spent the last two years collaboratively exploring AI for toxicology with 33 scientists from 14 leading pharmaceutical companies and 6 research institutes! 🏆 American Chemical Society Editor's Choice! pubs.acs.org/doi/10.1021/...

pubs.acs.org

Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World

Machine learning (ML) is increasingly valuable for predicting molecular properties and toxicity in drug discovery. However, toxicity-related end points have always been challenging to evaluate experim...

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 10/04/2025

A model evaluated 234 toxic and 596 non-toxic compounds using structural fingerprints and achieved an F1 score of 0.440; what could be wrong? Of course, one answer is that it’s a great model. What’s another possibility?

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 10/03/2025

Today I learned that Hedwig actually died in Harry Potter? How did I even miss this? 😭😭

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 02/03/2025

Thank you for highlighting our work! Use DILIpred to figure out if your compounds have any DILI risk, with mechanistic features :D DILIPred was bulit with over 15k compounds and covers a large chemcial space!

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 26/01/2025

Excited to join Merck US as a Senior Research Scientist! If you are in Philly area, would be happy to catchup!

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 22/01/2025

pip install infoalign! Add biological information to your chemcial fingerprints, using only SMILES as input! I'm thrilled to share that our paper "Learning Molecular Representation in a Cell" has been accepted to ICLR 2025! 🎉

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God @thegodshow.com · 07/01/2025

Thou shalt not promise lower grocery prices and then deliver war against Panama, Canada, and Greenland.

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Francesca Grisoni @fragrisoni.bsky.social · 21/12/2024

Open #postdoc position in *Organic/Medicinal Chemistry* for generative #AI in Drug Discovery — join us @tueindhoven.bsky.social 💪🏻 Funded by the European Research Council (ERC). Deadline: Jan 15, 25 jobs.tue.nl/nl/vacature/... Repost appreciated!

jobs.tue.nl

Postdoc In Organic/Medicinal Chemistry for generative AI in Drug Discovery

De TU/e is voortdurend op zoek naar wetenschappelijk en niet-wetenschappelijk personeel om haar ambities waar te maken. Kijk hier voor ons actuele vacatureaanbod.

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Kresten Lindorff-Larsen @lindorfflarsen.bsky.social · 25/12/2024

“Your scientists were so preoccupied with whether or not they could, they didn't stop to think if they should”

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Pranav Rajpurkar PhD @rajpurkar.bsky.social · 18/12/2024

I don't think it's widely clear to the #RadiologyAI community just how poorly GPT-4V compares with the top report generation models on chest X-rays, like MedVersa or MAIRA-2. It's clear we need a way to track progress.

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Brendan @chemscrapes.bsky.social · 27/12/2024

Atomic orbitals at the beach #chemsky 🧪

some atomic orbitals at the beach. the d, p and s orbitals are all standing on the shore watching sadly as the d-z-squared orbitals play in the water. the d-z-squared orbitals are using their doughnut shaped lobe as a flotation device.

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Andreas Bender @andreasbender.bsky.social · 22/12/2024

The next Cambridge Cheminformatics Newsletter, December 2024 Edition is out! Containing upcoming related events, news jobs and resources For details please see: www.drugdiscovery.net/2024/12/22/c... Have a good Christmas/Holiday period everyone! All the best and see you in 2025, Andreas

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 17/11/2024

Here's a Cheminformatics Starter pack! Let me know if you would like to be added! And more importantly, do encourage people to join the blue skies :D

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 20/12/2024

I did the experiment myself! Having an Android phone saves you 25% costs and the phone pays for itself in 10 Uber rides! Uber and other apps cost up to 30% more on iPhones than on Androids for the same orders. Don’t get me wrong, by all means buy an iPhone! Keep an Android on the side for orders 🤪

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Jess Ewald @ewaldlab.org · 13/12/2024

🎉 I'm starting my own lab at EMBL-EBI (Cambridge, UK; June 2025) 🎉 We will focus on identifying and characterizing chemical hazards to humans and ecosystems using computational biology methods. I am beginning the search for two postdocs now - stay tuned for more details! ewaldlab.org

ewaldlab.org

Ewald Lab

@ EMBL-EBI. We identify and characterize chemical hazards to both humans and ecosystems with cell profiling data, machine learning, and integrative data analysis.

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Beth Cimini 🔬💻📊 @bethcimini.bsky.social · 16/12/2024

New Year, new job? Delighted to announce two early-career-level (post-BA/BS or MA) positions in my lab, and an open call for computational postdocs at the Broad! First, an image analysis associate - work on high content screens for all kinds of cells and dimensionalities! See more at link (1/4)

docs.google.com

Image analysis associate job description

Image Analysis Associate Broad Institute of MIT and Harvard, Cambridge, MA Impact the discovery of new disease therapies in the Cimini laboratory at the Imaging Platform Join our vibrant, world-clas...

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Anne Carpenter @drannecarpenter.bsky.social · 18/12/2024

We've a postdoc opening for our lab at the Broad: Cambridge MA! Must have experience in toxicology + data science Work on the wonderful OASIS dataset we are producing... Cell Painting, transcriptomics, proteomics in various liver cell and tissue models! broad.io/mlcbpostdoc

Image of the job posting (see URL for full text instead)

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Kevin K. Yang 楊凱筌 @kevinkaichuang.bsky.social · 17/12/2024

Pack 3 now up to 69/150!

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Kevin K. Yang 楊凱筌 @kevinkaichuang.bsky.social · 14/12/2024

Note: most MIT professors I know are honest and morally upright

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 12/12/2024

Thinking about implementing the Cell Painting assay? Here’s a guide to how it can help in Drug Discovery! t.co/hW1jOhAg7q

t.co

https://rdcu.be/d2vHH

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Chaitanya K. Joshi @chaitjo.bsky.social · 12/12/2024

My (I think funny) take on AlphaFold3 and equivariance: There are many versions of AF3 which may be better at different tasks — The one they publicly released is as diametrically opposite in terms of architecture (no equivariance, no frames, generative) to RosettaFold-AllAtom.

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Daniel Probst @skepteis.bsky.social · 06/12/2024

Due to recent events and such...

The "is this a pidgeon meme?" where the butterfly is interpolation and the guy asks "is this AI?"

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 06/12/2024

When the size of test data is 5 compounds and accuracy is 100% 😌

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 04/12/2024

The JUMP-Cell Painting findings with genetic perturbations are now released!

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Bluesky @bsky.app · 03/12/2024

Scientists, academics, researchers: We’re excited to share that @altmetric.com is now tracking mentions of your research on Bluesky! 🧪

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Yanai Elazar @yanai.bsky.social · 03/12/2024

ICLR ACs - save us!

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Fritz Roth @fritzroth.bsky.social · 20/11/2024

Calling all systems and computational biologists in search of a faculty position: We have Assistant and Associate Professor positions! 🚀 Pittsburgh is beautiful, and we are doing amazing science here. cfopitt.taleo.net/careersectio... cfopitt.taleo.net/careersectio... Please apply by Dec 2!

cfopitt.taleo.net

Faculty.Professor.Assistant - Full-Time

Click the link provided to see the complete job description.

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 29/11/2024

Join the Cheminformatics, Machine Learning in Chemistry and Drug Discovery Starter Pack!

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BrooklynDad_Defiant! @mmpadellan.bsky.social · 28/11/2024

You don't need to be a rocket scientist or a brain surgeon to see why Bluesky is the place to be. But welcome scientists, thank you for joining us! 👋

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Woody Sherman @woody-sherman.bsky.social · 26/11/2024

Just announced: 2025 Computer-Aided Drug Design (CADD) GRC program The topic: "Exploring the Synergy of Machine Learning and Physics-Based Computational Chemistry to Accelerate Drug Discovery" It is shaping up to be a seminal conference. Hope to see you there! www.grc.org/computer-aid...

grc.org

2025 Computer Aided Drug Design Conference GRC

The 2025 Gordon Research Conference on Computer Aided Drug Design will be held in Portland, Maine. Apply today to reserve your spot.

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 26/11/2024

Do you want to make biological sense of Cell Painting images? Try BioMorph! BioMorph maps CellProfiler features to a new feature space that’s more interpretable and contains the same signal strength. Try it at broad.io/BioMorph !

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Kyle Cranmer @kylecranmer.bsky.social · 24/11/2024

My experience in 🦋 right now is a lot like walking the halls in a big conference where I know a lot of people. 👋 👋 👋

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Anne Carpenter @drannecarpenter.bsky.social · 24/11/2024

I would add one more: start posting and replying! The only way momentum is maintained is if ppl are interesting here… don’t be a bystander just eyeing the buffet and not bringing anything to the potluck 😄

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 23/11/2024

Ignoring MDPI emails is so normal now. Do they even have a single normal reputed journal?

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 23/11/2024

PKSmart v3.0 is now live! pk-predictor.serve.scilifelab.se PKSmart is an open-source app we built to predict human and animal pharmacokinetic parameters. Publication is coming soon and is also available for local implementation via pip install pksmart.

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Davis Bickford @davis.social · 22/11/2024

Back in February, I teamed up with @bsky.app to make a comic explaining what makes Bluesky so special. I wanted to share this again, to welcome all the newskies. It's great to have you here 🙂 Welcome to Bluesky! 💙🦋 1/3

Multi panel comic. Skye and Jay observe a desolate expanse of social networks in their current state: bots, spam, scams… Throughout the page, the two take a boat away from the island, and land on a new island representing Bluesky. The tones are orange and purple. The following discussion ensues:

Panel 1: Skye: I think it’s time to leave Old Social. This keeps happening.

Panel 2: Skye: I have to start over again.

Panel 3: Skye: I'm tired.

Panel 4: Jay: Don’t worry! Better things are ahead at bluesky!

Panel 5: Skye: Jay, how's bluesky any different?

Panel 6: Jay: Well, we're here. Let me show you!

Panel 7: The labels display on a lively and dynamic esplanade: Welcome to bluesky! For you / Politics / News / Discover / Comics / Literature / Cat photos…

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 22/11/2024

The Small Molecule Digital Chemistry group at Novo Nordisk is looking for a Senior Scientist in the computational chemistry team. Join a young, dynamic team of drug discovery scientists working with an in silico first mindset to advance pharmaceutical programs! *Closing date Nov 30th #chemjob

careers.novonordisk.com

Senior Scientist - Computational Chemistry

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The Royal Society @royalsociety.org · 18/11/2024

The Royal Society is on Bluesky! We are the independent scientific academy of the UK, founded in 1660 and dedicated to promoting excellence in science for the benefit of humanity. Follow us for the latest research, fascinating looks at science history, events and more: royalsociety.org

royalsociety.org

Welcome to the Royal Society | Royal Society

The Royal Society is a Fellowship of many of the world's most eminent scientists and is the oldest scientific academy in continuous existence.

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 22/11/2024

Ask ChatGPT, “based on what you know about me, generate an image of what you think my current life looks like” I won’t lie, I like Catan.

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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com · 22/11/2024

We started a starter pack for people at Clare Hall to keep in touch with the amazing research 🥳 Join BlueSky and let me know if you would like to be added!

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