Figure 1.

Alcohol dehydrogenase (EC 1.1.99.9) Transformation from abstract Primary Alcohol to abstract Aldehyde showing the computed Δ− and Δ+ moieties. The Δ− moeity is the subgraph that is in XS but not in Xp. The Δ+ moeity is the subgraph that is in Xp but not in Xs.