DELTA_biological_data
收藏资源简介：
The DELTA resource comprises balanced datasets for 465 therapeutically relevant targets, including 240 associated with approved drugs, 201 in clinical investigation, and 24 linked to patented ones. The number of molecules per target is defined by the size of the minority class and ranges from 200 to 1335 compounds. Due to ligand promiscuity across targets, the database encompasses 223,661 unique compounds annotated with 307,438 bioactivity records. The file contains 307,438 bioactivity records, including target ID, target name, molecule name, SMILES, pChEMBL value, and a binary activity class defined according to the DELTA classification. In this scheme, compounds are labeled as active (1) when pChEMBL > 5.5, and inactive (0) when pChEMBL ≤ 5.5.
