Androgen Receptor - Morgan Fingerprints

Dataset containing a Flame QSAR model for predicting Androgen Receptor activation. The model is described in the metadata.txt file. The ar_FPs_v000006.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雄激素受体（Androgen Receptor）激活活性的Flame定量构效关系（Quantitative Structure-Activity Relationship，QSAR）模型。该模型的详细说明详见metadata.txt文件。可将ar_FPs_v000006.tgz文件导入至任意开源Flame（https://github.com/phi-grib/flame）实例，用于基于化学物质的二维结构预测其相关理化性质。