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Updated: May 30, 2025

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一个多尺度的分子结构神经网络用于分子性质预测.

Zhiwei Shi1,2, Miao Ma3, Hanyang Ning1,2

  • 1School of Computer Science, Shaanxi Normal University, Xi'an, 710119, People's Republic of China.

Molecular diversity
|January 25, 2025
PubMed
概括

一个新的多尺度分子结构神经网络 (MMSNet) 通过整合原子和分子尺度来改善分子性质预测. 这种机器学习模型提高了药物发现和材料设计的准确性,可解释性和确定性.

关键词:
图形神经网络是一个神经网络.传递信息的传递分子属性预测的预测分子结构分子结构.多尺度的核聚变技术

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