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One-to-Many: Multi-level Hitlists
- Some data have a “One-to-Many” relationship with the molecule (SMILES).
- Example: Measured values such as LogP, IC50
Requires a two-level hitlist
- Top level keeps track of which SMILES (and other one-to-one data) are in the hitlist
- Second level keeps track of which data (e.g. LogP) for each SMILES are in the hitlist
- Next slide shows an example: SMILES and LogP values