Description Usage Arguments Details Value Examples
Takes structure data file (SDF) of candidate drug, Nearest Neighbor value and threshold similarity score to predict its drug class using stochastic model.
1 | drug.class.stochastic("sdf", "NearestNeighbor", "Threshold")
|
sdf |
input sdf file |
NearestNeighbor |
Nearest Neighbor = 1, 3 |
Threshold |
Threshold = 0.25, 0.3, 0.35, 0.4 |
uCAREChemSuiteCLI
Predicted drug class of the candidate drug using Nearest Neighbor algorithm
1 2 3 4 | {
example.class.stochastic<- system.file('extdata/example.sdf', package="uCAREChemSuiteCLI")
drug.class.stochastic(example.class.stochastic,"3","0.25")
}
|
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.