Additional file 1 of Molecular docking and machine learning analysis of Abemaciclib in colon cancer

Additional file 1 Additional file S1. List of ligands with their corresponding annotation in ChEMBL. It showed a list of ligand used in the docking experiment. A total of 159 ChEMBL coumpounds are listed from 81 anti-cancer drugs downloaded.

附加文件1 附加文件S1：ChEMBL数据库中带有对应注释的配体（ligand）列表。该文件列出了分子对接实验（docking experiment）中使用的配体集合，共从已下载的81种抗肿瘤药物中整理得到159个ChEMBL化合物。