Glucocorticoid Receptor - RDKit Descriptors

Dataset containing a Flame QSAR model for predicting Glucocorticoid Receptor activation. The model is described in the metadata.txt file. The gr_rdkit_v000003.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糖皮质激素受体（Glucocorticoid Receptor）激活活性的Flame定量结构-活性关系（Quantitative Structure-Activity Relationship，QSAR）模型。该模型的详细说明收录于metadata.txt文件中。gr_rdkit_v000003.tgz文件可导入至开源Flame（https://github.com/phi-grib/flame）的任意实例中，用于基于化学物质的二维结构预测其相关性质。