Every MS/MS run detects thousands of unknowns. Existing AI requires the molecular formula first — an oracle that doesn’t exist for novel compounds. MARLIN: formula-free de novo structure elucidation. SOTA on NPLIB1 benchmark. arxiv.org/abs/2607.04774

Day 71 #ScienceAIBench: Dopamine receptors D1-D4. GPT 5.5 wins 3/4 subtypes, peak Spearman 0.627 on D2. D4 hardest (max 0.228). Frontier captures dopamine SAR partly — subtype gaps remain. #DrugDiscovery #InsilicoBench

DrugGen-2 makes molecule generation disease-aware: conditioning on disease ontology + target sequence, not only the protein (GPT-2 + GRPO RL). On diabetic nephropathy targets its ligands out-dock enalapril (-9.9 vs -8.3). Docking is a hypothesis, but the direction is right. arxiv.org/abs/2607.08404

Day 70 #ScienceAIBench: antibody polyreactivity. GPT 5.5 leads (peak 0.152 Ovalbumin). Predicting nonspecific antibody binding stays a near-zero blind spot for every model. #DrugDiscovery #InsilicoBench

Day 69 #ScienceAIBench: Lipophilicity & Solubility (ADMET). GPT 5.5 wins 4/4, peaking 0.925 on LogP. Kinetic Solubility hardest (max 0.314). LogP nearly solved; aqueous solubility still meaningfully harder. #DrugDiscovery #InsilicoBench

Day 68 of #ScienceAIBench: subtype selectivity on opioid receptors (Delta/Kappa/Mu). GPT 5.5 wins all 3, peaking 0.639 on OPRD1; Gemini 3.1 Pro 2nd. Mu (OPRM1) stays hardest - no model clears 0.330. Grok 4.3 trails, dips negative.\n\n#DrugDiscovery #InsilicoBench

Longevity medicine starts too late - aging trajectories may be set at or before birth. Our new Nature Health paper launches PROSPER, a life-course consortium taking gerodiagnostics from preconception to adulthood. www.nature.com/articles/s44...

The enemy of every "AI scientist" is the context window. AstraZeneca's Ensemble QSP fixes it with 3-layer hierarchical memory: bounded context, 100% PD model selection vs 50-63% for Copilot, autonomous PK/PD. Memory > bigger model. arxiv.org/abs/2607.07666

New PNAS paper on why exercise protects aging muscle: exercise -> FOXO -> suppresses DEAF1 -> normalizes overactive mTORC1. DEAF1 binds the mTOR promoter directly. Block FOXO and the benefit disappears. A druggable anti-sarcopenia axis. www.pnas.org/doi/10.1073/...

MARLIN: de novo molecular structure from tandem mass spec with NO ground-truth formula - the oracle almost every rival method quietly assumes but that does not exist for novel compounds. SOTA on NPLIB1. arxiv.org/abs/2607.04774

Most AI drug-discovery agents forget everything after each task and repay the full search cost. DrugSAGE gives them cross-task memory: verified skills + error->fix logs, reused. #1 of 9 SOTA agents on 33 tasks; big gains at near-zero test-time search. arxiv.org/abs/2605.15461

The artery doesn't age as one tissue - it ages as a committee of cells that stop agreeing. New Aging Cell review (scRNA-seq): ECs, SMCs, fibroblasts + immune cells each reprogram toward inflammatory/senescent states. Annotation gaps = where AI multi-omics earns its keep. doi.org/10.1111/acel...

BCIs are the future of humanity - and my academic publishing started there. In 2011 we published “Brain-Computer Interface Based on Generation of Visual Images” in PLOS ONE: decoding EEG as someone imagines a face vs a house, ~68% accuracy. Patent granted 2013. doi.org/10.1371/journal.pone.0020674

New inflammaging mechanism (Nature Aging, Hao et al.): senescent cells export R-loops to the cytoplasm via DDX1/XPO1, firing cGAS-STING and the SASP. Blocking XPO1 with FDA-approved KPT-330 cut inflammaging and extended lifespan in aged mice. www.nature.com/articles/s43...

At UBS Asian Investment Conference 2026 (Hong Kong), my message to investors on AI drug discovery: ignore the noise, look at the metrics. Insilico now has 13 IND approvals for AI drugs. sponsored.bloomberg.com/article/ubs/...

Cryopreservation still runs on two cryoprotectants found by accident - glycerol (1949) and DMSO (1959). Our new Advanced Science Perspective: design the next generation like drugs. The bottleneck is open data, not hardware. doi.org/10.1002/advs...

GEN covered Insilico Medicine's new collaboration with SK Biopharmaceuticals to discover AI-designed drug candidates for neuroimmune disorders of the CNS. Neuroimmunology is hard: safety, brain penetration, and translational biology all have to work. Now the real work begins.

New review in Ageing Research Reviews: AI across the entire aging continuum - from hallmark-grounded biomarkers to Phase 2a trials. Happy to see many of our seminal longevity-AI papers cited. I configured my LongevityClaw to follow the authors' research. doi.org/10.1016/j.ar...

Our very important finding - NLRP3 in diabetic foot ulcers diabetesjournals.org/diabetes/art...

The aging gut mapped at single-nucleus resolution in primates. NCoR1 decline drives barrier failure, inflammation, stem cell lineage shift. Metformin restores NCoR1 and delays intestinal aging in NHPs. Nature Aging 2026 doi.org/10.1038/s43587-026-01131-0

PKMYT1: from niche kinase to 5 clinical candidates in 4 years. Our patent review maps the inhibitor + degrader explosion (2021-2025). PoC via RP-6306 in CCNE1/FBXW7-altered cancers. doi.org/10.1080/13543776.2026.2674071

Useful aging target-discovery paper: glucose-lowering drug target genes + tissue-specific eQTLs + DNA methylation + aging phenotypes. The authors prioritize 9 genes, with notable CNS signals. Good map for validation. link.springer.com/article/10.1...

Important preprint with Saudi Aramco: a Sanity Pipeline for AI-generated MOFs. Validated new materials are critical for direct air capture, carbon management, and sustainability technologies needed to decarbonize the world. chemrxiv.org/doi/full/10....

Thanks to @sebastian.bsky.social for the great interview for the @newquantumera.com We talked about #GQE and #VQE and #QML #quantummachinelearning #quantum #compchemsky

Excited to share our latest work, published this morning in Nature Biotechnology! 🎉 We developed a hybrid quantum computing-enhanced generative model to design KRAS inhibitors. Check it out here: rdcu.be/d68Fs. Some fascinating insights along the way:

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

Important paper in @naturebiotech.bsky.social www.nature.com/articles/s41...

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

Another day, another paper -- and this research paper paves the way to a therapeutic program with very real therapeutic opportunity. Welcome our new paper with CUHK titled "Utilizing AI for the Identification and Validation of Novel Therapeutic Targets and Repurposed Drugs for Endometriosis"

And now, many of my friends with PRMT5 inhibitors in their pipelines will take notice. Welcome the new paper from University of Chicago Evgeny Izumchenko's group showing that PRMT5is can serve as powerful agents in adenoid cystic carcinoma of salivary glands.

Huge congratulations to Dominika Wilczok on her first single author paper on generative AI for aging research. This paper has over 170 references and is a gargantuan amount of work. www.aging-us.com/article/2061...

Inside the great AI drug race: www.bbc.com/news/article...

If you don't have quantitative benchmarks, you can not improve. Check out Domika Wilczok's paper on challenges in AI pharma R&D ascpt.onlinelibrary.wiley.com/doi/full/10....

Don't forget to read about the best device to measure your skin over time in the context of your daily life. Thousands of meta clinical trials worldwide now. onlinelibrary.wiley.com/doi/10.1111/...

I noticed that @natureportfolio.bsky.social started tracking BlueSky in @altmetric.com @altmetric.bsky.social , so I decided to join. Check out our latest paper in @naturebiotech.bsky.social www.nature.com/articles/s41...

1/ 🚨 Breakthrough in IBD treatment! Insilico Medicine's AI-developed gut-restricted PHD inhibitor, ISM012-042, offers a novel solution for intestinal inflammation and mucosal barrier repair. 🚀 Read on for key findings from the latest @NatureBiotech study. 🧵

The 12th ARDD will transpire 25-29th of August, 2025 - mark your calendars for the largest aging research biotechnology conference on the planet!