jaypat87 / htdescr Goto Github PK

Build unit tests

Wrap all machine learning scripts using libraries e1071, pls, randomforest into functions within qsarml.R

sigma.selection param in htdesc is still not showing up in /doc file created by roxygen2

Add functionality to cleandataframe/cleanmerge function to 1) convert NA into zeros 2) and add sigma meta, para, ortho in sigma hammett cols and subset the number of cols from htbatch output to only include property to be predicted (Y), and descriptors (X1, X2,etc)