Molecule of the Week: Sinensine E In 2011, four novel alkaloids, sinensines B - E, were isolated from the fruiting bodies of mushrooms. In TCM, these mushrooms are renowned as the "medicine of kings" and the "mushroom of immortality". More Info: www.organic-chemistry.org/Highlights/2...

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Personal Notes on the Progress of LLMs and PLMs in Science #memo #informatics #diary These days, Large Language Models (LLMs) are used not only for daily tasks but also for designing novel protein structures. Of course, I use these tools for my own tasks as well, and I find them really useful, as…

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Given a ligand SMILES and nothing else, predict the 3D structure of the CYP3A4 complex. DO IT!!! CYP CYP Hooray!

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This Week In Cheminformatics Issue #042 is out. This week we look into Tclin-likeness models, Causal-Chemprop, and a long list of papers. Happy reading :) thisweekincheminformatics.substack.com/p/forty-two

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This Week In Cheminformatics Issue #040 is out. This week we look into RetroChimera, HDACiAP, and a long list of papers. Happy reading :) thisweekincheminformatics.substack.com/p/forty

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