Handling Heterocyclic Tautomerism

Peter Kenny

Zeneca Pharmaceuticals, Alderley Park, Macclesfield, Cheshire SK10 4TG, UK

Structure representation problems

Why worry about tautomers?

Determination of tautomeric preferences

Equilibria in databases

A theoretical model for solvent effects

Examples of heterocyclic tautomerism

Converting molecules with LF2_EDIT

Conclusions