Indole Example Review:
1,3,5-indole as starting template
184 ring systems satisfying geometry (geometric isosteres)
Hitlist aligned to indole and charge calculations performed
Electrostatic similarities calculated using aligned templates
Ranked list of templates for further information retrieval including:
- data look up on rings
- retrieve superstructures containing rings in other dbs
- look up data of whole molecules in other dbs
Several alternatives with high similarity (property isosteres)
Synthetic route investigation