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".
Nodes
- String Manipulation6 ×
- Column Filter5 ×
- RowID4 ×
- Column Rename3 ×
- Pivoting3 ×
- Rule-based Row Splitter3 ×
- Table Row to Variable3 ×
- Text Output Widget3 ×
- Transpose3 ×
- Empty Table Switch2 ×
- Row Filter2 ×
- Bar Chart1 ×
- CASE Switch End1 ×
- CASE Switch Start1 ×
- Color Manager1 ×
- Domain Calculator1 ×
- Extract Column Header1 ×
- Extract Table Spec1 ×
- GroupBy1 ×
- Inject Variables (Data)1 ×
- Insert Column Header1 ×
- Joiner1 ×
- Math Formula1 ×
- Math Formula (Multi Column)1 ×
- Missing Value1 ×
- Refresh Button Widget1 ×
- Rule Engine1 ×
- Single Selection Widget1 ×
- Slider Widget1 ×
- Sorter1 ×
- String Manipulation (Variable)1 ×
Extensions
- FeatureKNIME Base nodes
- FeatureKNIME JavaScript Views
- FeatureKNIME Javasnippet
- FeatureKNIME Math Expression (JEP)
- FeatureKNIME Quick Forms
Links
- No links available