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Call the CS2 Webservice V3

Determine the Regulated Status of Compounds
Compounds to check need to streamed into the CS2Check Compounds componentA table with a column named input with the SMILES orInChI strings of the compounds you would like todetermine the controlled status of is required.Optionally another column named id with identifiers forthe comounds can also be included. These identifierswill be included in the resultsCS2 searches on the following SMILESstrings:CNC(C)Cc1ccc2OCOc2c1 (MDMA) andClc1cc(C(c2c(O)c(c3cc2)nc(C)cc3)Nc4cc(C)ccn4)ccc1 (a controlled = No) are not charged for (no credits areused). Use these examples for testing purposeswithout using any of your CS2 search quota CS2 controlled substance determination results will be passed out of this port Any CS2 Errors will be passed out of this port Click configure on this component to set thefollowing CS2 parameters: Enter CS2 server credentials:Enter your CS2 Hosted username and password(provided by Scitegrity)Show Precursor Controls in Results: Would you like to show precursor results? If yes setthis to true otherwise set this to false Jurisdictions to Search:Provide a comma separated list of the jurisdictioncodes for the jurisdictions you would like to search.If you leave this blank all the jurisdictions you aresubscribed to will be searched. Jurisdiction codescan be found with the webservice documentation(documentation link in workflow description). In version 3 of this component, controlcodes are output as a list rather than acomma separated string. To keep thecontrol codes as a comma separatedstring use this component. CS2 ResultsErrorsCreate Example Input Data Table View Table View CS2 CheckCompounds V3 Table Creator Add control codes tocomma separated string Compounds to check need to streamed into the CS2Check Compounds componentA table with a column named input with the SMILES orInChI strings of the compounds you would like todetermine the controlled status of is required.Optionally another column named id with identifiers forthe comounds can also be included. These identifierswill be included in the resultsCS2 searches on the following SMILESstrings:CNC(C)Cc1ccc2OCOc2c1 (MDMA) andClc1cc(C(c2c(O)c(c3cc2)nc(C)cc3)Nc4cc(C)ccn4)ccc1 (a controlled = No) are not charged for (no credits areused). Use these examples for testing purposeswithout using any of your CS2 search quota CS2 controlled substance determination results will be passed out of this port Any CS2 Errors will be passed out of this port Click configure on this component to set thefollowing CS2 parameters: Enter CS2 server credentials:Enter your CS2 Hosted username and password(provided by Scitegrity)Show Precursor Controls in Results: Would you like to show precursor results? If yes setthis to true otherwise set this to false Jurisdictions to Search:Provide a comma separated list of the jurisdictioncodes for the jurisdictions you would like to search.If you leave this blank all the jurisdictions you aresubscribed to will be searched. Jurisdiction codescan be found with the webservice documentation(documentation link in workflow description). In version 3 of this component, controlcodes are output as a list rather than acomma separated string. To keep thecontrol codes as a comma separatedstring use this component. CS2 ResultsErrorsCreate Example Input Data Table View Table View CS2 CheckCompounds V3 Table Creator Add control codes tocomma separated string

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Created by: JoeBradley
Created at: 2019-07-09
On NodePit since: 2021-10-15
Last update: 2024-04-27
Created with KNIME version: v4.3.0
Tags: CS2ScitegrityCSCSControlled SubstancesChemical RegulationsDrugsLegislationLawsNarcoticsPrecursors

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