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papersSEP 10 04:00 UTC

Small Molecule Optimization with Large Language Models

A research paper on arXiv examines how large language models can be applied to molecular optimization, the task of designing small molecules with targeted properties. The work positions LLM-based approaches as a promising tool for drug discovery pipelines, where candidate compounds must be iteratively refined to meet specific criteria.

arXiv drug-discovery large-language-models molecular-optimization small-molecule-optimization

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arXiv cs.LGSmall Molecule Optimization with Large Language Models ↗SEP 10 04:00 UTC