Cartridge
|
Indexing failures
|
Rejected queries
|
---|
1M
|
10M
|
94M
|
n
|
reason
|
---|
Bingo
|
105
|
1024
|
9754
|
0
| |
OrChem
|
2
|
4
|
–
|
12
|
Unsupported aromatic bond in SMILES
|
pgchem
|
30
|
255
|
2527
|
146
|
Fragmented SMILES, queries with [*]
|
RDKit
|
72
|
707
|
6911
|
4
|
Chemical structure considered invalid
|
Sachem
|
0
|
0
|
0
|
0
| |
- Measurements are slightly influenced by errors that some cartridges exhibited during benchmarking, due to both indexing and searching errors. Indexing errors are primarily reported as unacceptable data in the SDF files from PubChem, most frequently as invalid atom valences or stereochemistry. Note that Bingo beta version can lower the number of indexing errors by using algorithms that work with ‘incorrect’ structures (this feature is disabled by default)