Beyond RDKit: Benchmarking the Rowan Agent Skill Against Experiment
A reproducible study of pKa, logD, tautomers, ADME, and docking run by an AI agent with the Rowan skill, measured against RDKit and experimental ground truth.
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Explore tutorials, product updates, and insights on AI-powered research automation from the K-Dense team.
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Showing 2 posts tagged "Chemistry".
The Model Is No Longer the Bottleneck
Anthropic showed a general model can rival ChemDraw at NMR. The real story for scientists: the bottleneck has moved from the model to the workflow around it.