Prediction of Activity

Solutions
By Ian P Newton & Paul L Appleton - Own work, CC BY-SA 4.0, https://commons.wikimedia.org/w/index.php?curid=45221234

MCF-7 breast cancer cell line (By Ian P Newton & Paul L Appleton – Own work, CC BY-SA 4.0, https://commons.wikimedia.org/w/index.php?curid=45221234)

 

Breast cancer (from Wikipedia) is cancer that develops from breast tissue. Signs of breast cancer may include lumps in the breast, a change in breast shape, dimpling of the skin, fluid leaking from the nipple, or a red scaly patch of skin. In those with distant spread of the disease, there may be bone pain, swollen lymph nodes, shortness of breath, or yellow skin.

Data have been loaded from ChEMBL database to configure a ML suited table.

Our BrCa dataset is composed of the activities of compounds assayed on 9 breast cancer cell lines in all DB assays. In this case, for analysis purposes, all cancer data rows have been removed from the master dataset but Breast cancer average potency and flags for each assayed compound have been appended as separate columns to configure class descriptors.

 

Description Activity Count
A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. 68635
NCI human tumor cell line growth inhibition assay. Data for the NCI/ADR-RES Breast cell line. 28705
NCI human tumor cell line growth inhibition assay. Data for the MCF7 Breast cell line. 28635
NCI human tumor cell line growth inhibition assay. Data for the MDA-MB-435 Breast cell line. 28420
NCI human tumor cell line growth inhibition assay. Data for the MDA-MB-231/ATCC Breast cell line. 27872
NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. 27827
NCI human tumor cell line growth inhibition assay. Data for the T-47D Breast cell line. 26627
NCI human tumor cell line growth inhibition assay. Data for the HS 578T Breast cell line. 26576
NCI human tumor cell line growth inhibition assay. Data for the BT-549 Breast cell line. 25375