Quantum Computing and Quantum Technologies in Drug Discovery and Therapeutics: Evidence, Benchmarking, and...

Area of Science:

• Quantum technologies and their applications in drug discovery and development.
• Physical therapies and device-led interventions co-evolving with pharmaceutical research.
• Computational chemistry, quantum computing, and machine learning in therapeutic development.

Background:

• Quantum technologies, including computing, sensing, and materials, are proposed to accelerate drug discovery.
• Current claims of "quantum advantage" often lack standardized benchmarks and comparisons to classical methods.
• The review broadens the scope to include device-led therapies alongside quantum approaches.

Purpose of the Study:

• To critically evaluate the current state and future potential of quantum technologies in drug discovery.
• To differentiate and assess quantum computing, quantum sensing, and quantum nanotechnologies.
• To integrate device-based physical therapies into the framework of therapeutic development.

Main Methods:

• Categorization of quantum technologies: computing, sensing, and nanotechnologies.
• Inclusion and analysis of physical therapies: photobiomodulation, focused ultrasound, neuromodulation, and optogenetics.
• Review of near-term quantum computing capabilities (NISQ era), algorithms, and error mitigation.
• Comparison of quantum approaches against classical computational chemistry and machine learning baselines.

Main Results:

• Quantum sensing and established device/physical platforms show the most substantial near-term translational value in drug discovery.
• Quantum computing is currently hypothesis-generating, awaiting fault tolerance and proven advantage.
• Device-based modalities like transcranial photobiomodulation and focused ultrasound are impacting clinical trials and therapeutic landscapes.

Conclusions:

• Validated decision impact, not just quantum novelty, is crucial for drug discovery applications.
• Standardized benchmarks and reproducible results comparable to AI/ML methods are essential for regulated contexts.
• Quantum sensing and physical therapies offer more immediate clinical relevance than quantum computing in the near term.