Table 1 Cytotoxicity data sets used in this study
From: QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction
Cell line | Cell line description | ChEMBL assay ID | Cellosaurus ID | Organism of origin | Number of bioactivity data points |
|---|---|---|---|---|---|
A2780 | Ovarian carcinoma cells | CHEMBL3308421 | CVCL_0134 | Homo sapiens | 2255 |
CCRF-CEM | T-cell leukemia | CHEMBL3307641 | CVCL_0207 | Homo sapiens | 3047 |
DU-145 | Prostate carcinoma | CHEMBL3308034 | CVCL_0105 | Homo sapiens | 2512 |
HCT-116 | Colon carcinoma cells | CHEMBL3308372 | CVCL_0291 | Homo sapiens | 6231 |
HCT-15 | Colon adenocarcinoma cells | CHEMBL3307945 | CVCL_0292 | Homo sapiens | 994 |
HeLa | Cervical adenocarcinoma cells | CHEMBL3308376 | CVCL_0030 | Homo sapiens | 7532 |
HepG2 | Hepatoblastoma cells | CHEMBL3307718 | CVCL_0027 | Homo sapiens | 3897 |
HL-60 | Promyeloblast leukemia cells | CHEMBL3307654 | CVCL_0002 | Homo sapiens | 4637 |
HT-29 | Colon adenocarcinoma cells | CHEMBL3307768 | CVCL_0320 | Homo sapiens | 5630 |
K562 | Erythroleukemia cells | CHEMBL3308378 | CVCL_0004 | Homo sapiens | 4160 |
KB | Squamous cell carcinoma | CHEMBL3307959 | CVCL_0372 | Homo sapiens | 2731 |
L1210 | Lymphocytic leukemia cells | CHEMBL3308391 | CVCL_0382 | Mus musculus | 4873 |
LoVo | Colon adenocarcinoma cells | CHEMBL3307691 | CVCL_0399 | Homo sapiens | 1120 |
MCF7 | Breast carcinoma cells | CHEMBL3308403 | CVCL_0031 | Homo sapiens | 12,001 |
MDA-MB-231 | Breast epithelial adenocarcinoma cells | CHEMBL3307960 | CVCL_0062 | Homo sapiens | 3482 |
NCI-H460 | Non-small cell lung carcinoma | CHEMBL3307677 | CVCL_0459 | Homo sapiens | 2277 |
PC-3 | Prostate carcinoma cells | CHEMBL3307570 | CVCL_ NIRG—MRC0035 | Homo sapiens | 4294 |
SK-OV-3 | Ovarian carcinoma cells | CHEMBL3307746 | CVCL_0532 | Homo sapiens | 1589 |