A new ChEMBL dataset for FastTargetPred

A ChEMBL-v29 dataset was generated to be used with the ligand-based similarity search target prediction engine FastTargetPred (https://github.com/ludovicchaput/FastTargetPred). Using this new dataset, attempts to predict macromolecular targets for a published dataset of 160,000 tetrapeptides was performed.为适配基于配体相似性搜索的靶点预测引擎FastTargetPred（https://github.com/ludovicchaput/FastTargetPred），本研究生成了ChEMBL-v29数据集。依托该数据集，研究团队针对包含160,000条四肽的公开数据集开展了大分子靶点预测相关尝试。