This software was developed to accompany the manuscript: "Mass spectral
similarity mapping applied to fentanyl analogs" by Moorthy et. al. 
https://www.sciencedirect.com/science/article/pii/S2468170920300254

Correspondence should be addressed to 
Arun Moorthy: arun.moorthy@nist.gov

The software requires R version 3.5 or newer which can be installed 
following links at https://www.r-project.org/

Use:

1. Open R

2. Change your R working directory to the unzipped folder 
   "Fentanyl-Classifier/" or to wherever the source files for the app
    have been extracted. 

3. Run the command:  source("RunShinyApp.R")

Necessary packages will be installed during the first run. Subsequent 
runs should not require installations. 

All code available in this package can be used freely, acknowledging 
that it was developed for research purposes and thus carries no 
guarantees of effectiveness beyond the examples described in the 
previously noted manuscript.

For troubleshooting, please contact corresponding author.