RGs as Descriptors of Bioactivity
- Identify a level of reduction whereby compounds with equivalent bioactivity are similar but compounds with different bioactivity are dissimilar
- build on the bioactivity profiling work by
- summarising structural features that are likely to affect activity
- retain topology between those features
- RGs as 2D pharmacophore?
- generate RGs at different levels for active and inactive compounds
- evaluate their effectiveness in identifying compounds that exhibit the same activity