Table 1.

Twenty-Four Rules Used by the Metabolic Forest, Their Associated Ruleset, and Their Type

rule	ruleset	type
acetylation	conjugation
azo splitting	hydrolysis
benzodioxole reduction	reduction
dealkylation	unstable oxygenation
dehydration	reduction
dephosphorylation	hydrolysis
epoxide opening	stable oxygenation
glucuronidation	conjugation
glutathionation	conjugation
hydrolysis	carbonyl cleavage	smarts reaction rule
hydroxylation	stable oxygenation
nitrogen oxidation	stable oxidation
nitrogen reduction	reduction
oxidative dehalogenation	unstable oxygenation
oxygen reduction	reduction
reductive dehalogenation	reductive dehalogenation
sulfation	conjugation
sulfur oxidation	stable oxygenation
sulfur reduction	reduction
dehydrogenation	dehydrogenation
hydrogenation	reduction	resonance pair rule
quinone formation	quinone formation
epoxidation	stable oxygenation
tautomerization	tautomerization	resonance structure rule