Table 1.

Cell line data sets used in this study

Cell line	Description	ChEMBL cell 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-15	Colon adenocarcinoma cells	CHEMBL3307945	CVCL_0292	Homo sapiens	994
KB	Squamous cell carcinoma	CHEMBL3307959	CVCL_0372	Homo sapiens	2731
LoVo	Colon adenocarcinoma cells	CHEMBL3307691	CVCL_0399	Homo sapiens	1120
PC-3	Prostate carcinoma cells	CHEMBL3307570	CVCL_0035	Homo sapiens	4294
SK-OV-3	Ovarian carcinoma cells	CHEMBL3307746	CVCL_0532	Homo sapiens	1589