Mcule_searches
Options
- Fetch availability
- If selected, the output table will contain the confirmed availability of the compounds.
- Input column
- Column containing the molecule identifiers to be used for the searches. The following identifiers are allowed:%%00010%%00010Exact search: Mcule ID, SMILES, InChI, InChIKey%%00010Similarity search: Mcule ID, SMILES%%00010Substructure search: Mcule ID, SMILES%%00010%%00010Columns containing mixed identifier types (e.g. both SMILES and Mcule ID) are not allowed.%%00010
- Similarity threshold
- Minimum similarity between two molecules in the similarity search. Values between 0.7 and 1.0 are valid, and the default is 0.9. This value does not affect other search types.%%00010%%00010
- Rate limit maximum wait time (seconds)
- The maximum time you are willing to wait (in seconds) between API requests in case a HTTP 429 (too many requests) response is received. If the wait time is smaller than this limit, the component retries the request after the necessary time (based on the Retry-After response header) has passed.
- Search results limit
- Number of results returned from a similarity or substructure search. It accepts values between 1 and 1000, the default is 5. In special cases users might be able to use values above 1000 if explicitely set by Mcule staff. In case an invalid value is specified, the search will produce an error. This parameter does not affect the exact search.
- Search type
- The type of search that will be executed. Similarity and substructure searches take longer than the exact search.
- Enter your Mcule API token here for access
- API token for authentication. Please reach out to Mcule staff to obtain a token at support@mcule.com.
- Price amounts (mg)
- The amount(s) (mg) for which the pricing informations should be fetched. The amounts should be seperated with a comma, without any whitespaces. At most 5 amounts can be specified. If left empty, no pricing information is retrieved. Example: 1,25,50%%00010
Nodes
Extensions
- FeatureKNIME Base nodes
- FeatureKNIME Javasnippet
- FeatureKNIME JSON-Processing
- FeatureKNIME Quick Forms
- FeatureKNIME REST Client Extension
Links
- No links available
To use this component in KNIME, download it from the below URL and open it in KNIME:
Download ComponentOn NodePit since: 2021-08-03
Last update: 2025-11-03
Created with KNIME version: v5.7.0
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