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Updated: Jun 28, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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作为GPT语言建模的de novo药物设计:使用监督和强化学习学习的大型化学模型

Gavin Ye1

  • 1Columbia Grammar & Preparatory School, New York, NY, USA. yeeeyee004@gmail.com.

Journal of computer-aided molecular design
|April 22, 2024
PubMed
概括

大型语言模型 (LLM) 适用于药物发现,成功生成了新且有效的分子. 这种方法显示出创造更少数据的可访问药物替代品的希望.

关键词:
在新的药物设计中.效率优化优化 效率优化在 GPT 中,GPT 必须是 GPT.大型化学模型大型语言模型.强化学习是一种强化学习.

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