Finding Mappings
Potential mappings of the pharmacophore onto the molecule are found as
follows:
- Lists of all matches the molecule has for each of the
pharmacophore's features are created
- All possible combinations of these matches are generated
At this stage in the search process, the pharmacophore distances are
not used. The only constraint on the mappings is that a single atom may
not be involved in more than one feature in the mapping. This
improves efficiency by removing degenerate pharmacophores from
consideration.