SulfurFinder is an R program that facilitates 1) data cleaning, 2) sulfur (S) recognition, and 3) S number prediction in nontargeted LC-HRMS data.
The R script SulfurFinder.R is the main program. The program was written in R (ver. 4.1.3). The user manual SulfurFinder_user_manual.pdf is provided. The machine learning (ML) models and demo data can be found here.