Reaxys Bioactivities

This node accesses the Reaxys database server via the Reaxys API. It allows retrieving all bioactivity data in Reaxys Medicinal Chemistry. This includes target and bioassay information.

Options

Reaxys API URL
The URL to access the Reaxys API.
API Key
An activation key provided to you by Elsevier. This is required for accessing the Reaxys API.
Username
Optional username for named user-based login.
Password
Optional password for named user-based login.
Input Data Column
Name of the column that contains the query values.
Input Data Type
Type of the query values.
Order by
Field value that is used for sorting the bioactivity instances retrieved per query.
Order Direction
Sorting order, ascending or descending.
Query Restriction Type
Type of a query restriction to be added to the list of query restrictions (see Query Restriction below).
Query Restriction Operator
Operator of the query restriction to be added to the list of query restrictions (see Query Restriction below).
Query Restriction Value
Value of the query restriction to be added to the list of query restrictions (see Query Restriction below).
Add
Button for adding the constructed query restriction to a list of query restrictions (see Query Restriction below).
Query Restriction
Optional list of query restrictions that will be applied to each query.
Output Data
Type of data being retrieved.
Maximum Number of Results per Query
Maximum number of retrieved bioactivity instances per query. If this value is set to -1, no limit on the number of retrieved instances per query will be imposed.

Structure Search Options

Search Type
Definition of the structure search type (see User Guide for further details).
Stereo Options
Definition of how stereochemistry is treated (see User Guide for further details).
Miscellaneous Options
Selection box for miscellaneous options to be considered (see User Guide for further details). You can select multiple options by pressing the CTRL key while clicking on an option.
Number of atoms
The total number of atoms to be found in the structure associated with the retrieved bioactivity instances. If min and max values are set to -1, no limit on the number of atoms will be imposed.
Number of fragments
The total number of fragments to be found in the structure associated with the retrieved bioactivity instances. If min and max values are set to -1, no limit on the number of fragments will be imposed.
Number of ring closures
The total number of rings to be found in the structure associated with the retrieved bioactivity instances. If min and max values are set to -1, no limit on the number of ring closures will be imposed.

Input Ports

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Table containing query values in one column.

Output Ports

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Table containing query results from Reaxys Medicinal Chemistry. Each row in the table contains the original query value in the first column, and a specific object identifier (Bioactivity Datapoint ID) for the bioactivity instances matching the query.

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