Principal AIDD 💊🤖Scientist at Insilico Medicine 🧬, Retrosynthesis🧪CADD expertise TL // right neo-hegelian, e/acc // All posts reflect my personal views only

Joined April 2018
Photos and videos
Thanks, Kyle, for sharing and summarizing our new preprint!
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
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Bogdan A. Zagribelnyy, PhD retweeted
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
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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
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Bogdan A. Zagribelnyy, PhD retweeted
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
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First cover in my scientific career ✅
Check out the latest issue of #ACSMedChemLett go.acs.org/5wV ▶️Read the cover article by Zhavoronkov et al. about recent developments in AI-driven drug design (AIDD) using medicinal chemistry.
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Greatly appreciate @lizavolka for her design
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Happy to see our microperspective in @ACSMedChemLett on how medicinal chemist looks at the ai/ml research outputs in drug discovery. #insilicoveritas @InSilicoMeds
The Hitchhiker’s Guide to Deep Learning Driven Generative Chemistry #machinelearning #compchem pubs.acs.org/doi/abs/10.1021…
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New preprint 📄 from @InSilicoMeds on new efforts for targeting 🦠#SARSCoV2 main protease using #generativechemistry approach. This time 10 molecules were reviewed by @nanome_inc in #VR 🤩 chemrxiv.org/articles/Potent…

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The Wall Street Journal 📰 on our novel potential inhibitors 💊 of #COVID2019 🦠 main protease. wsj.com/amp/articles/biotech… #insilicomedicine @InSilicoMeds #Coronavirus #DrugDiscovery #wsj

Let’s see how #insilicomedicine developed potential 2019-nCoV 🦠3C-like Protease Inhibitors 💊 Designed Using Generative Deep Learning Approaches 💡 doi.org/10.26434/chemrxiv.11… через @figshare #drugdesign #ai #drugdiscovery #medicinalchemistry #2019nCoV #coronavirus

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Bogdan A. Zagribelnyy, PhD retweeted
A #Spotlight from Hongming Chen and Ola Engkvist (@AstraZeneca) that highlights a recent @NatureBiotech paper from @biogerontology and @A_Aspuru_Guzik labs: out now in @TrendsinPharma #DeepLearning cell.com/trends/pharmacologi…
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Our article has been cited by Nature Reviews Drug Discovery Senior Editor!!! OMG 🤩🤩🤩
Celebrities tweet, superstar editors brief. Deeply honored to have our paper on deep generative model with @A_Aspuru_Guzik mentioned in @NatRevDrugDisc 🙏👩‍💻 nature.com/articles/d41573-0…
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Bogdan A. Zagribelnyy, PhD retweeted
2 Sep 2019
There's been a lot of buzz about #AI for drug discovery. But I think this is the best case yet: All in 46 days! nature.com/articles/s41587-0… @InSilicoMeds @uoft @VectorInst @biogerontology @A_Aspuru_Guzik and colleagues @NatureBiotech #DeepLearning
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“Constant vigilance!”
Just priceless. An estimated 20% of genetic research papers contain errors because Excel converted some gene names into calendar dates.
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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…