研究人员开发了ToolMol，一个旨在利用大型语言模型改进药物发现的进化代理框架。该框架结合了遗传算法和LLM算子，可迭代地优化潜在的候选药物。ToolMol利用一个由RDKit支持的函数工具箱进行精确的分子修饰，在结合亲和力和绝对结合自由能评分方面取得了最先进的成果，优于现有方法。 AI
影响 该框架通过提高LLM驱动的分子生成的效率和质量，有可能加速新药的发现。
排序理由 发布了一篇详细介绍药物发现新框架的最新研究论文。[lever_c_demoted from research: ic=1 ai=1.0]
在 arXiv cs.NE (Neural & Evolutionary) 阅读 →
AI 生成摘要 · Google Gemini · 来自 3 个来源。 我们如何撰写摘要 →
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