XIFENG YAN

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GRAPH DATASETS

  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