| Subscript | Description |
| hb | Interactions between hydrogen bond donor–acceptor pairs. An optimistic view is taken; for example, two hydroxyl groups are assumed to interact in the most favorable way |
| ion | Ionic interactions. A Coulomb-like term is used to evaluate the interactions between charged groups. This can contribute to or detract from binding affinity |
| mlig | Metal ligation. Interactions between nitrogens/sulfurs and transition metals are assumed to be metal ligation interactions |
| hh | Hydrophobic interactions, for example, between alkane carbons. These interactions are generally favorable |
| hp | Interactions between hydrophobic and polar atoms. These interactions are generally unfavorable |
| aa | An interaction between any two atoms. This interaction is weak and generally favorable |