- Chemically diverse (heterocycles, amino acids, carbohydrates, fatty acids, etc.)
- Readily available, includes coordinates
- Compare entire database against it self as a test of selectivity, sensitivity of surface signatures
A signature database for initial testing was generated using the Tripos fragment database as a source. While this database is tiny by current standards, it is chemically diverse, small and conveniently available.
The database was compared against itself (i..e each of the compounds was used as a query).