Key features
- Creation of target/compound or cell line/compound profile based on knowledge derived from AurSCOPE Knowledge Databases
- Interactive profile Heat Map visualizations
- Activity values in Heat Map are expressed using a unified parameter (-log of affinity/activity value) and link to detailed experimental literature data
- Compound searches based on exact structure, substructures or similarity searches
- Filtering of data within the Heat Map based on chemistry and biology-based parameters:
- Activity
- Species
- Bioassay protocols
- Publication type : patents or journal articles
- Compound physicochemistry properties (MW, Log P, & others)
- Global target hierarchy based on standard classifications
Chemical hierarchy based on Bemis & Murko Frameworks
- Rapidly explore and construct large numbers of selectivity profiles from experimental data
- Learn potential off-target effects earlier in the drug discovery process
- Improve decision making and risk reduction to accelerate discovery projects
- Share experimentally derived profiles with project team members
- In silico exploration of compound selectivity for target/target family
- Rapid investigation of "privileged" scaffolds
- Understand the chemical space of your target(s) or cell(s) of interest
- Evaluation/assessment of focused libraries
- Detection of compounds exhibiting polypharmacology
- Gain insight on the mechanism of action of natural products
- Selection of the best radicals for lead optimization
- Creation of a cellular activity profile drug repurposing
Key benefits
Uses
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