Data for: Automatic generation of Markush structures from specific compounds

Compressed files (ZIP) containing the input data files used for the experiments presented in the paper (in SDF and SMILES format) and the Markush structure generated from the exemplified structures of U.S. patent US20170260195A1 (in SDF and MRV format).本数据集为ZIP格式压缩文件，包含两类文件：一类是本论文所述实验所用的输入数据文件，格式为SDF与SMILES；另一类是由美国专利US20170260195A1的示例结构生成的马库什结构（Markush structure）文件，格式为SDF与MRV。