This component retrieves activity data from ChEMBL for the molecular series selected by the Molecular Series Selection component.
Input connections
- First input — must be connected to the same node to which the Molecular Series Configuration component is connected
- Second input — must be connected to the output of the Molecular Series Selection component
After retrieving the molecular activities, this component generates an Interactive View/Web Portal page that allows users to explore and export activity data for the selected molecular series. The page is organized into three sections:
1. Activity by series — activity data and statistics aggregated at the series level
2. Activity by molecule — activity data aggregated at the individual molecule level
3. Individual activity records — individual activity entries with their source details
Each section provides a Download data area for exporting the data in CSV format. Activity statistics for the molecular series are also reported, along with a 2D chemical space visualization showing the distribution of molecules projected onto the first two principal components of a PCA computed from molecular fingerprints.
Please, note that ChEMBL DB Connection flow variables must be available at the workflow level. These can be obtained using the ChEMBL DB Connection component.
Input connections
- First input — must be connected to the same node to which the Molecular Series Configuration component is connected
- Second input — must be connected to the output of the Molecular Series Selection component
After retrieving the molecular activities, this component generates an Interactive View/Web Portal page that allows users to explore and export activity data for the selected molecular series. The page is organized into three sections:
1. Activity by series — activity data and statistics aggregated at the series level
2. Activity by molecule — activity data aggregated at the individual molecule level
3. Individual activity records — individual activity entries with their source details
Each section provides a Download data area for exporting the data in CSV format. Activity statistics for the molecular series are also reported, along with a 2D chemical space visualization showing the distribution of molecules projected onto the first two principal components of a PCA computed from molecular fingerprints.
Please, note that ChEMBL DB Connection flow variables must be available at the workflow level. These can be obtained using the ChEMBL DB Connection component.
