Principal AIDD 💊🤖Scientist at Insilico Medicine 🧬, Retrosynthesis🧪CADD expertise TL // right neo-hegelian, e/acc // All posts reflect my personal views only
The genAI template for virtual screening: generate → screen → enumerate → validate at scale
e.g. @InSilicoMeds's LEGION searches NLRP3 target space: 34k pharmacophore scaffolds ➜ 110M candidates in days, not years.
🚀~60% of a 375k sample survive full 3D SBDD vs 8-26% for combinatorics
The genAI template for virtual screening: generate → screen → enumerate → validate at scale
e.g. @InSilicoMeds's LEGION searches NLRP3 target space: 34k pharmacophore scaffolds ➜ 110M candidates in days, not years.
🚀~60% of a 375k sample survive full 3D SBDD vs 8-26% for combinatorics
I am really impressed by the great work of my colleagues. It was a great fortune for me to see, how TNIK saga progressed and now it stepped into Phase II. Hope there will be more Nature papers by @InSilicoMeds. Congrats, folks! nature.com/articles/s41587-0…#drugdiscovery
In a new microperspective in @ACSPublications Medicinal Chemistry Letters, researchers from Insilico analyze various AI/ML generative chemistry approaches to produce novel and synthetically feasible molecular structures and provide recommendations. lnkd.in/eVrHt-xi
Check out the latest issue of #ACSMedChemLettgo.acs.org/5wV
▶️Read the cover article by Zhavoronkov et al. about recent developments in AI-driven drug design (AIDD) using medicinal chemistry.
What a wonderful day! It’s a great honor for me to contribute such a revolutionizing research paper by #InsilicoMedicine. Our company made an outstanding breakthrough in AI-driven #DrugDiscovery and this is the “copernican revolution” in #Pharma!
nature.com/articles/s41587-0…