alimotahharynia/approved_drug_target

该数据集提供了一个经过整理的已批准药物的简化分子输入线系统（SMILES）字符串及其相关蛋白质序列的集合。每个小分子都至少被一个监管机构批准，确保数据在计算应用中的安全性和相关性。数据集包括1,660个已批准的小分子及其2,093个相关蛋白质靶点。数据来源于DrugBank、UniProt、ChEMBL和ZINC20。数据处理过程中，排除了因安全问题被撤回的药物，并对蛋白质序列进行了验证和替换。数据集的结构包括SMILES和蛋白质序列两部分。

This dataset provides a curated collection of approved drug Simplified Molecular Input Line Entry System (SMILES) strings and their associated protein sequences. Each small molecule has been approved by at least one regulatory body, ensuring the safety and relevance of the data for computational applications. The dataset includes 1,660 approved small molecules and their 2,093 related protein targets. The data comes from the DrugBank, UniProt, ChEMBL, and ZINC20 databases and has been assessed by a physician and a pharmacist, excluding withdrawn drugs due to safety concerns. The data structure includes SMILES strings and protein sequences retrieved from the UniProt database.