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DPD-Cancer
Prediction
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DPD-Cancer
explainable graph-based deep learning for small molecule anti-cancer activity prediction
Step 1: Please provide a set of molecules (via SDF or SMILES)
SMILES string:
Draw your own molecule and get its SMILES
×
Draw your own molecule using JSME Molecular Editor
OR
SDF / SMILES file (up to 2,000 molecules):
Choose SDF
OR
Choose SMILES file
Supplier Data Files (SDFs) [Click to Download Sample]
must follow
common standards.
SMILES files [Click to Download Sample]
must have a header with the SMILES column.
SMILES
are preferable in the canonical form.
Step 2: Fill your e-mail address (
optional
)
E-mail address (for sending a notice with the result link):
Step 3: Please choose a prediction mode
Apply DPD-Cancer to get the activity and pGI
50%
predictions on your molecules on different tissue types:
Breast
CNS
Colon
Leukemia
Melanoma
Non Small
Cell Lung
Ovarian
Prostate
Renal
Small Cell
Lung
All
Example