This component connects to an instance of the ChEMBL database and retrieves activities available based on small-molecule ChEMBL IDs.
The first output (outport_0) contains the aggregated activity values. Activity values that share the same small molecule, target, activity type, activity relation, and activity units are aggregated.
1. For "=", "~" or null activity relations, the aggregated value corresponds to the values mean. In these cases also the standard deviation is calculated, and a final aggregated and rounded activity string is also produced (e.g., "IC50 = 128 ± 6").
2. For "<", "<=" and "<<" activity relations, the aggregated value corresponds to the aggregated minimum value. Standard deviation is null in these cases.
3. For ">", ">=" and ">>" activity relations, the aggregated value corresponds to the aggregated maximum value. Standard deviation is null in these cases.
The second output (outport_1) includes all individual activities along with their corresponding activity source references.
For this component to function, the ChEMBL DB Connection variables must be defined at the workflow level. These variables can be established using the ChEMBL DB Connection component.
The first output (outport_0) contains the aggregated activity values. Activity values that share the same small molecule, target, activity type, activity relation, and activity units are aggregated.
1. For "=", "~" or null activity relations, the aggregated value corresponds to the values mean. In these cases also the standard deviation is calculated, and a final aggregated and rounded activity string is also produced (e.g., "IC50 = 128 ± 6").
2. For "<", "<=" and "<<" activity relations, the aggregated value corresponds to the aggregated minimum value. Standard deviation is null in these cases.
3. For ">", ">=" and ">>" activity relations, the aggregated value corresponds to the aggregated maximum value. Standard deviation is null in these cases.
The second output (outport_1) includes all individual activities along with their corresponding activity source references.
For this component to function, the ChEMBL DB Connection variables must be defined at the workflow level. These variables can be established using the ChEMBL DB Connection component.