A collection of chemical structures for which generating a 2D layout can be difficult. The set is based on that described in Clark, A et al. 2006 around key obstacles:
- Find Optimal Solution - avoidable overlaps
- Suboptimal Solution - unavoidable overlaps
- Global Chain Blocks
- Double Bond Stereochemistry
- Congested Small Rings
- Bonding Counterions
- Spirocenters
- Macrocycles
- Ring Template Matches
- Planar Embedding
- 3D Ring Systems
- Clark, A et al. 2D Structure Depiction. J. Chem. Inf. Model. 2006. 46(3)# Layout Benchmark