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Practical Cheminformatics Index - Practical Cheminformatics - https://patwalters.github.io/
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Unified index of posts from Blogger and GitHub Pages . Total posts: 87 Generated on 2026-04-11. Date Title Source Keywords Description 2026-02-07 AI in Drug Discovery - Please Stop Fishing in the Bathtub! GitHub AI, Drug Discovery, Benchmarking Critiques the misuse of the DUD-E dataset for validating machine learning models, arguing that models often “cheat” by recognizing simple chemical patterns rather than actual protein-ligand interactions. 2026-01-17 Practical Cheminformatics with Marimo GitHub Marimo, Jupyter, Python, Visualization Introduces Marimo, a reactive Python notebook, as a supe
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