|
|
 |
Search EAWAG-BBD SMILES Structures
- Select a search type and similarity threshold,
enter the SMILES string of what you want to search for, and click the search button.
Substructure searching looks for molecules containing the given substructure.
Similarity searching looks for molecules that are similar to the query structure.
The higher the similarity threshold, the more similar are the retrieved molecules to the query molecule.
Exact searching looks for the molecule that is identical to the query structure.
SMILES string format is described on the SMILES Home Page from Daylight
Chemical Information Systems, Inc. For example, a SMILES string for
3-Hydroxybenzaldehyde is "Oc1cccc(C=O)c1".
|
