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  1. #load the original dataset
  2. originalDataset<-read.csv(file='~/Downloads/ds.GintrCAI_RDKit.csv')
  3.  
  4. #removing noise
  5. datasetRemNear<-RRegrs::RemNear0VarCols(originalDataset,fDet = FALSE,outFile = "mock.csv")
  6. datasetRemCorrs<-RRegrs::RemCorrs(datasetRemNear,fDet = FALSE,cutoff = 0.9,outFile = "mock.csv")
  7.  
  8. #validation dataset is manually set equal to train, just to run the model ;)
  9. complexModel<- RRegrs::SVMRFEreg(datasetRemCorrs, datasetRemCorrs,"repeatedcv",iSplit=1,fDet=F,outFile="",cs=c(1,5,10,15,20),eps=c(0.01,0.1,0.3))
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