Flame model Pregnane X receptor activation

Dataset containing a Flame QSAR model for predicting Pregnane X receptor activation. The model is described in the metadata.txt file. The PXR_FAIR.tgz file can be imported into any instance of the open-source Flame (https://github.com/phi-grib/flame) and be used for predicting the properties of chemical substances from their 2D structure.

本数据集包含用于预测孕烷X受体（Pregnane X receptor, PXR）激活状态的Flame定量结构-活性关系（Quantitative Structure-Activity Relationship, QSAR）模型。该模型的详细说明存储于metadata.txt文件中。用户可将PXR_FAIR.tgz文件导入至开源框架Flame（https://github.com/phi-grib/flame）的任意实例中，基于化学物质的二维分子结构对其相关性质进行预测。