This component is designed to display & analyse bioprofiles of compound sets using data retrieved by the ChEMBL Activity From Molecule Retrieval component (2nd output).
Users can define the significant activity threshold for considering a target-ligand interaction as active through the interactive view. They can also modify the generated target profile by grouping targets in various ways.
With inspiration from "Bosc et al. J Cheminform (2019) 11:4" not all the data provided as input is considered because a basic automatic data curation protocol is used. Only data fulfilling the following requirement is kept:
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: "not-active", "inconclusive", "undetermined", "unevaluated".
Users can define the significant activity threshold for considering a target-ligand interaction as active through the interactive view. They can also modify the generated target profile by grouping targets in various ways.
With inspiration from "Bosc et al. J Cheminform (2019) 11:4" not all the data provided as input is considered because a basic automatic data curation protocol is used. Only data fulfilling the following requirement is kept:
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: "not-active", "inconclusive", "undetermined", "unevaluated".