As a multicultural group, we are proud to celebrate #HispanicHeritageMonth by highlighting our two directors, @aspuru.bsky.social and @variniabernales.bsky.social, along with former Matter Lab member Joel Yuen-Zhou, who have been recognized as Latin American Trailblazers by C&EN!
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Ever wondered how to get organic chemists to synthesize the molecules you designed with your newest generative AI model?

Please check out our latest article: “The elephant in the lab: Synthesizability in generative small-molecule design”.

🐘 Link to preprint: chemrxiv.org/engage/chemr...
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Headed to Accelerate 2025? You cannot miss the presentations from The Matter Lab. We've got your back--here's your ultimate cheat sheet so you don't miss a thing.

#Accelerate2025 #AIinScience
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🚀 Excited to share our latest Review paper published in Nature Reviews Chemistry, exploring how machine learning (ML), when integrated with high-throughput experimental and computational data, can accelerate the discovery and design of heterogeneous catalysts.

Paper link: lnkd.in/eYQkUsWn
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Brought to you by Austin Cheng (@auhcheng.bsky.social) — meet the newest member of our team: Quetzal!

Named after Quetzalcoatl, the Aztec god of creation, Quetzal is a simple yet scalable model for building 3D molecules atom by atom.

📜 arxiv.org/abs/2505.13791

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🎉Kudos to all authors who made this possible: Mohsen Bagherimehrab, Luis Mantilla Calderón, Dominic Berry, Philipp Schleich, @ghazivakili.bsky.social, @an-aldossary.bsky.social, @ja-camga.bsky.social, @cgorgulla.bsky.social, @aspuru.bsky.social [4/4]

Thank you this is great opportunity!

First day of spring, talking about science with Sven!

Happy Nowruz!
@thematterlab.bsky.social
#thematterlab
@uoft.bsky.social
@uoftpress.bsky.social
#nowruz #drugdiscovery

Excited to share our latest work on leveraging quantum–classical generative models for small-molecule design, specifically targeting KRAS inhibitors for cancer therapy. [1/4]

Happy to appear in #BNNBloomberg TV talking about our recent research paper in @naturebiotech.bsky.social about #ai and #quantum for KRAS binder discovery.

With @akshatai.bsky.social @elonverse.bsky.social Igor Staglar @cgorgulla.bsky.social @ghazivakili.bsky.social and others #chemsky

Thanks to #BNNBloomberg for having AC director @aspuru.bsky.social on to chat about his latest research w/Insilico Medicine + #UofT researchers that uses AI + quantum computing to speed up the discovery of anti-cancer drugs. Watch now 📺 www.bnnbloomberg.ca/video/shows/...

Excited to see our research on AI and quantum computing for drug discovery featured on BNN Bloomberg! Honored to be part of the team designing molecules targeting KRAS mutations to tackle hard-to-drug cancers.

#AI #QuantumComputing #DrugDiscovery #KRAS

U of T researchers develop new approach using quantum computers to accelerate drug discovery A study co-led by University of Toronto researchers and Insilico Medicine has demonstrated for the first time the potential of quantum computing and artificial intelligence to transform the drug disco...

While we often hear of potential long-range synergy between #AI (which requires enormous computing power) + #quantumcomputing, today we have first-of-its-kind research from #UofT + Insilico Medicine that demonstrates it firsthand. Follow the link to learn more or read on below.

Glad to see our research on thr first #quantum + #ai application with experimental confirmation for #drugdiscovery out in Nature Biotechnology!

@ghazivakili.bsky.social @elonverse.bsky.social Igor Stagljar @thematterlab.bsky.social

Quantum-computing-enhanced algorithm unveils potential KRAS inhibitors - Nature Biotechnology A hybrid model combines quantum and classical approaches to generate compounds targeting the KRAS protein.

Part 4: Quantum computing’s potential in drug discovery is enormous. This study shows its real-world applications, reshaping healthcare innovation. Explore our work and its impact in the Open Access paper: www.nature.com/articles/s41....
#QuantumComputing #DrugDiscovery

Part 3: Special thanks to our incredible team, Christoph Gorgulla, Jamie Snider, AkshatKumar Nigam, Dmitry Bezrukov, Daniel Varoli, Alex Aliper, Anna Lyakisheva, Zhong Yao, Yudong Cao, and others who contributed their expertise. Together, we’re redefining what’s possible in science.
#Teamwork

Part 2: This breakthrough was possible thanks to teamwork from the Acceleration Consortium, University of Toronto, St. Jude Children’s Research Hospital, Insilico Medicine, and key collaborators @aspuru.bsky.social , Igor Stagljar, and Alex Zhavoronkov.

Part 1: Exciting news! Our research on quantum drug discovery is now in Nature Biotechnology. A Quantum Computer helped design KRAS inhibitors, an elusive cancer target. These inhibitors were successfully synthesized and tested, marking a milestone in healthcare innovation. 🚀
#QuantumComputing #KRAS