Table 3 Comparison of Input requirements and scale of applicability between MechFind and MechSearch
From: MechFind: a computational framework for de novo prediction of enzyme mechanisms
Feature | MechFind (This work) | MechSearch27 |
|---|---|---|
Required inputs | Reaction Stoichiometry Only | Stoichiometry + User-Supplied Active Site Residues |
Rule set source | 734 curated M-CSA mechanisms | 368 M-CSA mechanisms |
Large-scale application | Rhea Database | Rhea Database |
Reactions processed | 14,931 | 8,805 |
Success rate | 57% (8452 / 14,931) | 11% (942/8805) |
Output format | Ranked list of top-10 parsimonious mechanisms | Set of putative mechanisms |
