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Updated: Jan 12, 2026

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
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Published on: September 26, 2025

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摩尔预言:通过多模式框架将药物化学家的知识与分子预训练模型联系起来

Jianping Zhao1, Qiong Zhou1, Tian Wang2

  • 1College of Computer Science and Technology, Changchun University of Science and Technology, Changchun, Jilin 130012, China.

Journal of advanced research
|November 7, 2025
PubMed
概括

一个新的框架MolProphecy将模拟化学家的专业知识与分子数据相结合,以提高药物发现预测. 这种方法提高了准确性和可解释性,在多个基准上表现优于现有模型.

关键词:
药物发现 药物发现可以解释性 解释性大型语言模型.分子属性预测的预测多模式融合多模式融合在循环中的代理人-人.

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