Package cramer2.rules

Class Summary

Class	Description
RuleBenzeneAnalogues	benzene analogues, with 0-6 substituents that consist of at most 1 heavy atom.
RuleDivalentSulphur	Many kinds of divalent sulphurs, *-S-*, are synthetic and outside the scope of the Cramer dataset.
RuleFreeABUnsaturatedHetero	free a,b-unsaturates heteroatoms (allyl amine), where free implies that the b carbon has 2 H's.
RuleHasOnlySaltSulphonateSulphate	Rule 4 of the Cramer scheme (see cramer2.CramerRulesExtendedExtended)
RuleNormalBodyConstituent	Rule 1 of the Cramer scheme (see cramer2.CramerRulesExtendedExtended)
RuleReadilyHydrolysedPO4	cleaves PO4's from compounds, and analyses the remaining fragments Modified Dec, 2008
RuleUnchargedOrganophosphates	Uncharged Organophosph(othion)ates Modified Dec, 2008