Welcome to OEGraphSim documentation !¶
The OEGraphSim library provides a facility for encoding 2D molecular graph information into fingerprints. The following basic fingerprint functionalities are available:
- Generation (see Fingerprint Generation chapter)
- Storage (see Storage and Retrieval chapter)
- Comparison (see Similarity Measures chapter)
Emphases has been placed on speed with attention to rapid in-memory fingerprint search (see Fingerprint Database chapter).
