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ChEMBL structure search

Options

Column with molecules
Select the column in the input table that has valid structures to be used in the search. Accepts RDKit Molecule, SMILES and SDF as valid formats.
Similarity (%)
Enter the Tanimoto similarity index to be used. A higher similarity treshold means that there will be less results in the search
Request delay time (miliseconds)
Choose the interval (in miliseconds) between each request. Default value is 50 ms. Longer intervals reduce the chance of a server error (e.g.: "too many requests"), increasing the total time for the search operation to be performed.
Search mode
Choose which search mode will be used to query the ChEMBL database. Options available: Exact search, similarity, and substructure search.

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