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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