Data for: A machine learning approach to discriminate MR1 binders: the importance of the phenol and carbonyl fragments
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http://doi.org/10.17632/rt8khgb8zx.1
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资源简介：
A machine learning approach to discriminate MR1 binders: the importance of the phenol and carbonyl fragments
An excel file includes descriptor table, the 2D images of the entire dataset, name of the descriptors, descriptor importance suggested by the models, details of the LR model, and model performance metrics are provided as Supplementary Material.
一种基于机器学习的方法，用于区分MR1配体：苯酚和羰基片段的重要性
一个Excel文件包含了描述符表格、整个数据集的二维图像、描述符名称、模型建议的描述符重要性、LR模型详情以及模型性能指标，这些内容均作为补充材料提供。
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doi.org
