recetox-xmsannotator: compute chemscore

[hechth]

Wrapper for the compute chemscore section in the advanced_annotation function.

Bonus: see if this can be implemented using parallelism with the pmap_dfr function from purrr (https://purrr.tidyverse.org/reference/pmap.html)

Inputs

• annotation -> output of recetox-xmsannotator: reformat annotation table and correlation matrix #618
• global_cor -> output of recetox-xmsannotator: reformat annotation table and correlation matrix #618
• adduct_weights -> see also recetox-xmsannotator: compute isotopes #617
• corthresh -> float
• max_diff_rt -> float
• filter.by ->select from column, see the dimet example here to read the addut column from the adduct weights table

Output

• annotation -> tabular