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pdCSM-cancer
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pdCSM-cancer:
using graph-based signatures to identify small molecules with anticancer properties
Step 1:
Please provide a set of molecules (SMILES format)
SMILES file (limited to 1,000 molecules)
Files are expected to have a header identifying the SMILES column (
Example
).
OR
SMILES string
Step 2:
Please choose the prediction mode
 
Apply pdCSM-cancer to get activity and GI50% predictions on your molecules on different tissue types:
Breast
CNS
Colon
Leukemia
Melanoma
Non Small Cell Lung
Ovarian
Prostate
Renal
Small Cell Lung
All