You can focus the information presented on result pages by applying filters. The number of results and available filter options change as filters are applied or removed. There are chemical, biological, and source document filters:
If a filter has View All, clicking it will either display the full list of options or window in which you can select options listed by the number of results they apply to (Top Count), Alphanumerically, or as Search results.
Click the Apply button apply your selected filter options to the result set.
Chemical Filters
R-Groups
Available on scaffold details page for the Ligands and Pharmacology tabs, use this filter to select R-Groups that need to be present in the results' structures.
Clicking an R-Group opens a window displaying the available options.
Select the desired groups and then click the Apply button.
Displayed results now have the selected R-Group.
The applied R-Group is fully shaded in the filter panel.
pValue
pValues display in the data table on the Pharmacology tab of the ligand results, scaffold detail, and ligand detail page.
Druglikeness
The Druglikeness filter has up to six parameters, which may be adjusted via the sliders or text boxes for the minimum and maximum values:
- Hydrogen Bond Receptors
- Hydrogen Bond Donors
- Freely Rotatable Bonds
- Molecular Weight
- Molar Refractivity
- Number of Atoms (heavy)
Click the Apply button apply your selected parameter ranges to the result set.
Values are displayed on the ligand detail page.
ADME
The ADME filter has up to six parameters, which may be adjusted via the sliders or text boxes for the minimum and maximum values:
- Partition Coefficient (logP)
- Solubility (logS)
- Blood-Brain Barrier Permeability (logBB)
- Permeability Glycoprotein (Pgp)
- Polar Surface Area (PSA) (Å2)
- Plasma Protein Binding (PPB)
Click the Apply button apply your selected parameter ranges to the result set.
Values are displayed on the ADME tab of the ligand detail page.
Commercial Availability
Biological Filters
Target
Targets are the object of a pharmacological measurement and are often proteins, but could also be organisms, cell lines, and other biomolecules such as RNA or DNA.
Targets display in the data table on the Pharmacology tab of the ligand results, scaffold detail, and ligand detail page.
Target Type
Filtered Targets appear on the Pharmacology tab of ligand results.
Protein
Proteins are sequences of amino acids that are captured in our protein authority, which represents mostly naturally occurring proteins from different organisms.
This filter applies to protein results and pharmacology.
Disease
In CAS BioFinder, diseases are a combination of diseases (e.g., lung cancer), conditions (e.g., headache), and phenotypes (e.g., high weight).
Diseases display in the Assay Data window for a result.
Organism
Organisms display in the data table on the Pharmacology tab of the ligand detail page.
Parameter
Parameters display in the data table on the Pharmacology tab of the ligand results, scaffold detail, and ligand detail page.
Function
Functions display in the data table on the Pharmacology tab of the ligand results, scaffold detail, and ligand detail page.
Experiment Type
Experiment Type appears in the Assay Detail window accessed from pharmacological results.
Biomarker
Filtered Biomarkers appear on a disease detail's Biomarkers tab.
Source Filters
The Document Type, Publication Year, and Language filters apply to the Source column on pharmacology pages.