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ComplianceChecker

ChemAxon/Infocom JChem Extensions version 4.3.0.v202000 by Infocom Corporation

This node checks all chemical structures provided in a given column of the input DataTable against ComplianceChecker's rule set.
Source code is available here.

Options

Check mode
In 'simple' mode input rows are directed to different output ports based on the result of the check. In 'detailed' mode additional info columns are added to the input rows directed to the output ports.
Structure column
The column of the input DataTable that holds the structures to be checked.
Date of regulation
Setting this date will execute the checks against the regulations that were active on the chosen date. Not setting the field is equivalent with setting today's date.
Categories
The check will run against the selected categories. No selection means, running checks against all categories.
Structure format
The format of the input structures. If no format is specified Compliance Checker will will try to recognize the format.

Connection settings

Host
The host machine for ComplianceChecker's cc-api service. (e.g: http://<host>:<port>)
Timeout
Sets read and connection timeout for the checks.
Username
Name of the user to authenticate against on the service calls.
Password
Password to authenticate against on the service calls.

Input Ports

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DataTable containing the input structures that will be checked

Output Ports

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Regulated records
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Not regulated records
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Records that could not be checked due to error

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install ChemAxon/Infocom JChem Extensions Feature from the following update site:

KNIME 4.3

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Developers

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