| |
Chemical DataSets |
PubChem website (http://pubchem.ncbi.nlm.nih.gov). PubChem
provides information on the biological activities of small
molecules, containing the bioassay records for anti-cancer
screen tests with different cancer cell lines. Each dataset
belongs to a certain type of cancer screen with the outcome
active or inactive. From these screen tests, we collected 11
graph datasets with active and inactive labels.
| Name |
Assay ID |
Size |
Tumor Description |
| MCF-7 |
83 |
27770 |
Breast |
| MOLT-4 |
123 |
39765 |
Leukemia |
| NCI-H23 |
1 |
40353 |
Non-Small Cell Lung |
| OVCAR-8 |
109 |
40516 |
Ovarian |
| P388 |
330 |
41472 |
Leukemia |
| PC-3 |
41 |
27509 |
Prostate |
| SF-295 |
47 |
40271 |
Central Nerv Sys |
| SW-620 |
81 |
40532 |
Colon |
| SN12C |
145 |
40004 |
Renal
|
| UACC-257 |
33 |
39988 |
Melanoma |
| Yeast 167 |
167 |
79601 |
Yeast anticancer |
|