Chemotargets CLARITY® is an innovative data science solution that fully exploits the synergies between known experimental results and predicted insights to discover hidden knowledge, untap new competitive opportunities and improve R&D efficiencies.
CLARITYⓇ enables global profiling for a given molecule or set:
Quantitative binding and functional activity for mechanisms of action associated with therapeutic activities and safety liabilities (PHARMACOLOGY and SAFETY).
Predicted metabolites and their pharmacological profiles, and comparison with substrates (METABOLISM).
CLARITYⓇ ‘s engine uses:
An expertly curated training set of 2.6 million compounds data derived from patents, journals and public databases to ensure comprehensive coverage of the chemical space pharmacology, and covers related drug safety information available.
Multiple integrated state-of-the-art computational methods to ensure high level of confidence.
- Predicted target affinities with 6 independent approaches
- Predicted safety associations with 4 independent approaches
- Consensus confidence scores provided for each predicted interaction
- Prediction of metabolites, using a manually curated training dataset of experimental biotransformations in xenobiotics, including both Phase I and II metabolic reactions, extracted from the literature
- Comparative pharmacology between substrate and metabolites
- Coverage of a broad range of target-actions essential for secondary pharmacology profiling and provides information on the adverse effects linked to these mechanisms of action
- Improved analytics and visualisation tools that allow direct access to known data, both internal (if integrated) and external, and fast generation of predicted data
- Advanced Interpretation tools