Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
@srijitseal.com
Senior Chemøinformatician at Merck | Postdoc@Broad Institute of MIT and Harvard, Cambridge(MA) | PhD@University of Cambridge(UK) | AI, Image Analysis, bioML, -omics data, and Cell Painting for drug discovery. srijitseal.com/tools
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Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
@srijitseal.com
· Nov 17
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
pack! Let me know if you would like to be added! And more importantly, do encourage people to join the blue skies :D
Reposted by Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
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...
May 6, 2025 at 2:20 PM
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...
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/...
🏆 American Chemical Society Editor's Choice!
pubs.acs.org/doi/10.1021/...
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...
pubs.acs.org
May 6, 2025 at 1:09 PM
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/...
🏆 American Chemical Society Editor's Choice!
pubs.acs.org/doi/10.1021/...
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?
Of course, one answer is that it’s a great model. What’s another possibility?
April 10, 2025 at 5:56 PM
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?
Of course, one answer is that it’s a great model. What’s another possibility?
Today I learned that Hedwig actually died in Harry Potter? How did I even miss this? 😭😭
March 10, 2025 at 4:46 PM
Today I learned that Hedwig actually died in Harry Potter? How did I even miss this? 😭😭
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!
Drug-induced liver injury (DILI) is a significant concern in drug discovery, in particular because it might only be observed late in large clinical studies. Dilipred is an interesting in-silico tool using variety of approaches to identify potential for hepatotoxicity. macinchem.org/2025/03/02/u...
Using DILIpred – Macs in Chemistry
macinchem.org
March 2, 2025 at 6:42 PM
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!
Excited to join Merck US as a Senior Research Scientist! If you are in Philly area, would be happy to catchup!
January 26, 2025 at 10:07 PM
Excited to join Merck US as a Senior Research Scientist! If you are in Philly area, would be happy to catchup!
Reposted by Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
Machine Learning in Drug Discovery Resources page updated for 2025. github.com/PatWalters/r...
GitHub - PatWalters/resources_2025: Machine Learning in Drug Discovery Resources 2024
Machine Learning in Drug Discovery Resources 2024. Contribute to PatWalters/resources_2025 development by creating an account on GitHub.
github.com
January 23, 2025 at 2:12 PM
Machine Learning in Drug Discovery Resources page updated for 2025. github.com/PatWalters/r...
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! 🎉
I'm thrilled to share that our paper "Learning Molecular Representation in a Cell" has been accepted to ICLR 2025! 🎉
January 22, 2025 at 8:00 PM
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! 🎉
I'm thrilled to share that our paper "Learning Molecular Representation in a Cell" has been accepted to ICLR 2025! 🎉
Reposted by Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
Thou shalt not promise lower grocery prices and then deliver war against Panama, Canada, and Greenland.
January 7, 2025 at 6:53 PM
Thou shalt not promise lower grocery prices and then deliver war against Panama, Canada, and Greenland.
Reposted by Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
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!
Funded by the European Research Council (ERC).
Deadline: Jan 15, 25
jobs.tue.nl/nl/vacature/...
Repost appreciated!
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.
jobs.tue.nl
December 21, 2024 at 11:42 AM
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!
Funded by the European Research Council (ERC).
Deadline: Jan 15, 25
jobs.tue.nl/nl/vacature/...
Repost appreciated!
Reposted by Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
“Your scientists were so preoccupied with whether or not they could, they didn't stop to think if they should”
December 25, 2024 at 4:00 PM
“Your scientists were so preoccupied with whether or not they could, they didn't stop to think if they should”
Reposted by Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
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.
It's clear we need a way to track progress.
December 18, 2024 at 8:48 PM
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.
It's clear we need a way to track progress.
Reposted by Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
December 27, 2024 at 2:53 PM
Reposted by Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
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
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
December 22, 2024 at 6:11 AM
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
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
Reposted by Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
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
pack! Let me know if you would like to be added! And more importantly, do encourage people to join the blue skies :D
November 17, 2024 at 4:43 AM
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
pack! Let me know if you would like to be added! And more importantly, do encourage people to join the blue skies :D
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 🤪
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 🤪
December 20, 2024 at 5:47 PM
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 🤪
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 🤪
Reposted by Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
🎉 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
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
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.
ewaldlab.org
December 13, 2024 at 2:12 PM
🎉 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
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
Reposted by Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
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)
First, an image analysis associate - work on high content screens for all kinds of cells and dimensionalities! See more at link (1/4)
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...
docs.google.com
December 16, 2024 at 3:20 PM
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)
First, an image analysis associate - work on high content screens for all kinds of cells and dimensionalities! See more at link (1/4)
Reposted by Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
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
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
December 18, 2024 at 3:50 PM
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
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
Reposted by Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
Pack 3 now up to 69/150!
Three BioML starter packs now!
Pack 1: go.bsky.app/2VWBcCd
Pack 2: go.bsky.app/Bw84Hmc
Pack 3: go.bsky.app/NAKYUok
DM if you want to be included (or nominate people who should be!)
Pack 1: go.bsky.app/2VWBcCd
Pack 2: go.bsky.app/Bw84Hmc
Pack 3: go.bsky.app/NAKYUok
DM if you want to be included (or nominate people who should be!)
December 17, 2024 at 12:18 AM
Pack 3 now up to 69/150!
It’s not that large is it… hmm
December 16, 2024 at 1:55 AM
It’s not that large is it… hmm
Reposted by Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
Note: most MIT professors I know are honest and morally upright
December 14, 2024 at 3:18 PM
Note: most MIT professors I know are honest and morally upright
Postdoctoral Opportunity!
🎉 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
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
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.
ewaldlab.org
December 13, 2024 at 3:07 PM
Postdoctoral Opportunity!
Thinking about implementing the Cell Painting assay? Here’s a guide to how it can help in Drug Discovery! t.co/hW1jOhAg7q
https://rdcu.be/d2vHH
t.co
December 12, 2024 at 4:42 PM
Thinking about implementing the Cell Painting assay? Here’s a guide to how it can help in Drug Discovery! t.co/hW1jOhAg7q
Reposted by Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳
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.
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.
December 12, 2024 at 3:48 AM
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.
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.