This component is designed to prepare the analysis of the target-ligand interaction matrix using data retrieved by the ChEMBL Activity From Molecule Retrieval component (2nd output).
The analysis can be visualised using the ChEMBL Target-Ligand Interaction Matrix Visualization component.
NOTE: not all the activity data provided as input is reported but only that considered more reliable. In fact a basic automatic data curation protocol insipred in "Bosc et al. J Cheminform (2019) 11:4" is used. Only input data fulfilling the following requirements is kept and provided as output:
1. Standard activity = IC50, EC50, AC50, XC50, Ki, Kd, Potency, ED50
2. Standard relation equal to "="
3. Missing values in data_validity_comment field
4. Activity_comment field different from: "inconclusive", "undetermined", "unevaluated".
The analysis can be visualised using the ChEMBL Target-Ligand Interaction Matrix Visualization component.
NOTE: not all the activity data provided as input is reported but only that considered more reliable. In fact a basic automatic data curation protocol insipred in "Bosc et al. J Cheminform (2019) 11:4" is used. Only input data fulfilling the following requirements is kept and provided as output:
1. Standard activity = IC50, EC50, AC50, XC50, Ki, Kd, Potency, ED50
2. Standard relation equal to "="
3. Missing values in data_validity_comment field
4. Activity_comment field different from: "inconclusive", "undetermined", "unevaluated".
