Description Usage Arguments Value Examples
Predicts kinase inhibition probability for a given small molecule smiles
1 | predict_kinase(smi)
|
smi |
string representing the small molecule smiles |
named vector containing predicted kinase inhibition probability
1 | predict_kinase("OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4")
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