Leash
Ian Quigley, Max Kleinsasser, Andrew BlevinsMachine learning for medicinal chemistry
| Platform |  | Pricing | Only free issues | Publishes | Monthly |
|---|---|---|---|---|---|
| Issues | 18 | Subscribers | Read | leashbio.substack.com |
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Latest Issues
Recent posts by this newsletter. Browse the email archive.
We now know what it will take
Synopsis: In this post and a preprint we show that a model trained with large amounts of protein-ligand interaction data collected using DNA-encoded chemical libraries (DELs) can compete with the current state-of-the-art. We generate additi...
AI for chemistry in 2025 is like AI for images in 2010
Synopsis: In this post and a preprint we show that a simple model can identify which chemist made a given molecule from structure alone, and that you can use authorship to make pretty good activity predictions without any knowledge of chemi...
Taking away the protein cheat sheet
Synopsis: By identifying where protein-ligand interaction models pay attention, we see ours trained on less data are likely memorizing proteins rather than wrestling with the structural contributions of individual amino acids. To discourage...
Authors
The writers behind this newsletter.
Life science and machine learning guy. Cofounder of Leash, ex-Recursion.
Data Scientist @ Leash Bio
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