MaaS Substructure SearchΒΆ
This is a pure substructure search floe, accepting input of one or more SMARTS queries used as-is without processing or optimizing in any way. Annotated hits are returned from the selected MaaS database(s).
Extra Required Parameters
Queries (string) : One or more SMARTS queries to search - for multiple entries, delimit entries with a SPACE as other list delimiters are valid SMARTS tokens Maximum Specific Results (integer) : Some auto-generated queries are non-specific and the results should be skipped. If a query returns more than this number of results, its results will be skipped.Default: 10000 Max Hits (integer) : Limit number of hits/query to this valueDefault: 100 Min: 1 Output Dataset (dataset_out) : Output analog molecules.Default: Available_analogs