Fragment Screening and Packaging - Drug Discovery Digest

Silly Things Large Language Models Do With Molecules

Practical Cheminformatics

OCTOBER 8, 2024

Testing Claude’s Molecule Generation Ability To test the molecule generation ability of Claude, a general-purpose LLM from Anthropic, I prompted it to generate analogs for hits from fragment screens. These fragment hits are small molecules with between 11 and 21 heavy atoms.

Fragment Screening

Fragment Screening Packaging Organic Chemistry Small Molecule

Reinventing the small molecule toolbox: from proteins to RNA

Dark Matter Blog

APRIL 4, 2023

We sampled several screening platforms in the course of our efforts, including fragment screening using ligand-observed nuclear magnetic resonance (NMR), DNA-encoded libraries (DEL), and SEC-MS. Each of these platforms is thoroughly vetted in protein world, but using them on RNA can yield surprising results.

Small Molecule

Small Molecule RNA Fragment Screening DNA

Drug Discovery Digest

Silly Things Large Language Models Do With Molecules

Reinventing the small molecule toolbox: from proteins to RNA

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