drug.class.stochastic: drug.class.stochastic

Description Usage Arguments Details Value Examples

Description

Takes structure data file (SDF) of candidate drug, Nearest Neighbor value and threshold similarity score to predict its drug class using stochastic model.

Usage

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drug.class.stochastic("sdf", "NearestNeighbor", "Threshold")

Arguments

sdf

input sdf file

NearestNeighbor

Nearest Neighbor = 1, 3

Threshold

Threshold = 0.25, 0.3, 0.35, 0.4

Details

uCAREChemSuiteCLI

Value

Predicted drug class of the candidate drug using Nearest Neighbor algorithm

Examples

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{
example.class.stochastic<- system.file('extdata/example.sdf', package="uCAREChemSuiteCLI")
drug.class.stochastic(example.class.stochastic,"3","0.25")
}

uCAREChemSuiteCLI documentation built on June 3, 2019, 5:05 p.m.