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Updated: Feb 1, 2026

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当高精度误导时:QSAR生物降解中监督特征的重要性稳定性极限

Yoshiyasu Takefuji1

  • 1Faculty of Data Science, Musashino University, 3-3-3 Ariake Koto-ku, Tokyo, 135-8181, Japan.

Chemosphere
|January 30, 2026
PubMed
概括

监督机器学习可能会夸大化学生物降解性的特征重要性. 稳定,无标签的方法提供可靠的见解,并警告不要将预测准确性作为材料科学的优先事项.

关键词:
特性重要性 稳定性 稳定性在材料科学中的解释性模型诱导的偏见 模型诱导的偏见在QSAR生物降解过程中.监督与无监督的选择选择

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