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Updated: Jul 24, 2025

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基于计数的摩根指纹:在开发基于机器学习的预测回归模型的水污染物的活动和特性方面,更有效和更易于解释的分子表示

Shifa Zhong1, Xiaohong Guan1

  • 1Department of Environmental Science, School of Ecological and Environmental Sciences, East China Normal University, Shanghai 200241, P. R. China.

Environmental science & technology
|July 5, 2023
PubMed
概括

基于计数的摩根指纹 (C-MF) 增强了机器学习模型,用于预测化学污染物的特性,在大多数情况下优于二进制指纹. C-MF提供了更好的模型解释和类似的适用性域,可通过ContaminaNET平台访问.

关键词:
这就是ContaminaNET的意义.在QSAR中使用QSAR.以计数为基础的摩根指纹机器学习是机器学习.水污染物的水污染物.

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