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AIを活用したライフサイエンス探索に関する研究分析、業界の視点、深掘り解説
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A closer look at a natural-product literature pilot in NYB.AI evaluated how NVIDIA Nemotron 3.5 Super VL could help verify compound records against their source publications.
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For Vecura Biotech Insiders Spotlight #13, Chang Yong Zu shares all five generations, the controls as well as the leads, and what the contact data showed that the docking scores did not.
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Vecura now runs Selenium, the retrosynthesis model from b12 Labs, as the final step of its discovery workflow, so a molecule you generate comes back with routes for making it. Here is what that looked like on a real run against NEK2.
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How an output-driven perspective can help researchers select graph-based AI models for drug-target interaction research, with a closer look at DTIGN and LigoSPACE.
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For Vecura Biotech Insiders Spotlight #12, Viet Nguyen Duc shares a structure-based screening campaign against HIV-1 protease built so that every threshold in it had to answer to a drug already known to work.
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SuperWater, a generative AI framework developed to predict water molecule positions around biomolecular complexes, offers a new approach to this longstanding computational challenge.
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For Vecura Biotech Insiders Spotlight #11, Ethan Lee shares a nine step campaign logged exactly as it ran, including the gate that failed every single design and the comparison that only existed because three candidates went forward instead of one.
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For Biotech Insiders #10, Paolo Reyes shares a campaign that draws an unusually sharp line between what a generative docking model can be trusted with and what it can't, not because the model got confused, but because the two tasks are geometrically different problems wearing the same name.
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For Vecura Biotech Insiders Spotlight #09, Kerem brought us a campaign that passed four straight stages of computational scrutiny and stalled on the fifth, the one that decides whether anyone could ever hold the molecule in their hand.
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Hepatocellular carcinoma (HCC) is the predominant primary liver cancer and a major cause of cancer-related mortality worldwide. Despite advances in current therapies, advanced HCC remains difficult to treat, highlighting the need for new therapeutic targets.
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For Biotech Insiders #08, Goh brought us a campaign that did not work, and a reasonable person reading the metrics at stage three would have called it finished. That is exactly why we asked to publish it
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In this seventh edition of Vecura Biotech Insiders, we highlight a workflow shared with the Vecura team by Azlan Firdaus Iskandar: a constrained generative design campaign against amoxicillin's beta-lactam core, and what it took to stop the highest-scoring edit from being the one that breaks the drug.
