for easy structural interpretation
definition of rigorous, specific, and relevant molecular metric
proper use of various mathematical and statistical techniques
numerical stability and computability
reversible relationships with chemical structures
description of specific interactions
Quantum Similarity Drug Discovery
The conventional drug discovery process employs slow, incremental search for chemicals with structures similar to known active molecules. Its inherent inability to find compounds simultaneously possessing all required drug-like properties is the major reason for failures in pre-clinical and later phases.
Our Quantum Similarity approach employs a rigorous molecular representation with no explicit reference to chemical structure, bringing the advantages of straightforward discovery and simultaneous ADME/Tox optimization. It enables the generation of novel pre-clinical drug candidates with no need for high-throughput screening and minimal experimental support.
Quantum Representation of a molecule