PlausibleFormula will count the chemical elements within a provided formula and apply a rule set to evaluate if this formula is plausible.
It is currently exported to allow the user to modify/substitute the result but may become an internal function in the future.
A chemical formula. No validity checks are performed.
Currently either "GCMS" or "LCMS" as a keyword. In future potentially a link to a texfile containing the ruleset.
The rules are developed based on comparison with ~1000 compounds found in the Golm Metabolome Database (GMD) for silylated metabolites detectable in GC-MS. The following elements will be counted and tested: c("C","H","N","O","P","S","Si").
Either TRUE or FALSE. Use sapply(vector, PlausibleFormula) if necessary.