Is there somewhere that I can read more about the scoring of structural candidates in MSFINDER? Specifically, I'm interested in how the different sub-scores (fragmenter, library, and substructure) form the overall structure score. I also would like to know more about how the library scoring works- I'm assuming higher scores are given to more reputable data sources?
The MS-FINDER scoring is described in
https://www.nature.com/articles/s41592-019-0358-2
https://pubs.acs.org/doi/abs/10.1021/acs.analchem.6b00770
The further details for scoring can be found in my source code.
http://prime.psc.riken.jp/compms/msfinder/main.html
(please click "Core".)
Thanks,
Hiroshi