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    CQC and Crown Bioscience explore drug discovery

    Exploring quantum computing for drug discovery and molecular simulation, demonstrating up to 100x speedup in specific molecular property calculations.

    Introduction

    The partnership between Cambridge Quantum Computing (CQC) and Crown Bioscience represents a significant step in applying quantum computing to real-world pharmaceutical challenges. Cambridge Quantum, known for its expertise in quantum software and algorithms, particularly in quantum chemistry and machine learning, joined forces with Crown Bioscience, which specializes in translational drug discovery and development services. This collaboration sought to address the computational bottlenecks in drug discovery by applying quantum computing methods to molecular modeling, protein-drug interactions, and lead optimization. The partnership exemplifies the growing trend of quantum computing companies working directly with pharmaceutical service providers to develop practical applications that could revolutionize how drugs are discovered and developed. By combining CQ’s quantum expertise with Crown Bioscience’s deep understanding of drug development processes, the partnership aimed to create quantum-enhanced workflows that could significantly reduce the time and cost associated with bringing new drugs to market.

    Challenge

    The pharmaceutical industry faces enormous challenges in drug discovery, with the average cost of developing a new drug exceeding $2.6 billion and taking 10-15 years from concept to market. One of the primary bottlenecks is the computational complexity of accurately modeling molecular interactions, protein folding, and drug-target binding. Classical computers struggle with the exponential scaling of quantum mechanical calculations required for accurate molecular simulations. Crown Bioscience, serving pharmaceutical and biotech companies worldwide, recognized that traditional computational methods were limiting their ability to efficiently screen drug candidates and predict their behavior in biological systems. The challenge was particularly acute in areas such as oncology drug development, where understanding complex protein-protein interactions and predicting drug efficacy requires enormous computational resources. Additionally, the need to explore vast chemical spaces for potential drug candidates meant that even high-performance computing clusters could take months or years to complete comprehensive analyses. This computational limitation directly impacted the speed and cost-effectiveness of drug discovery pipelines, creating a pressing need for novel computational approaches that could handle the quantum nature of molecular systems more efficiently.

    Solution

    Cambridge Quantum developed a quantum computing solution leveraging their proprietary quantum algorithms and software platform to address Crown Bioscience’s computational challenges. The solution centered on CQ’s expertise in variational quantum eigensolver (VQE) algorithms and quantum machine learning techniques, specifically adapted for pharmaceutical applications. The quantum solution included modules for molecular simulation, focusing on calculating ground state energies of drug molecules and their interactions with target proteins. CQ implemented quantum algorithms that could efficiently handle the electronic structure calculations necessary for understanding drug-target binding affinities. The solution also incorporated quantum machine learning algorithms for pattern recognition in large molecular datasets, enabling more efficient identification of promising drug candidates. A key component was the development of hybrid classical-quantum algorithms that could run on near-term quantum devices while still providing computational advantages over purely classical methods. The software platform was designed to integrate seamlessly with Crown Bioscience’s existing computational infrastructure, allowing researchers to access quantum computing resources through familiar interfaces while maintaining data security and regulatory compliance requirements essential in pharmaceutical research.

    Implementation

    The implementation of the quantum computing solution followed a phased approach, beginning with proof-of-concept studies on well-characterized molecular systems. Cambridge Quantum’s team worked closely with Crown Bioscience’s computational chemistry experts to identify specific use cases where quantum computing could provide the most immediate value. The initial phase focused on implementing quantum algorithms for small molecule drug candidates, validating results against known experimental data and classical computational methods. The teams developed custom quantum circuits optimized for available quantum hardware, including both gate-based quantum computers and quantum annealers. A crucial aspect of implementation was the development of error mitigation strategies to handle the noise inherent in current quantum devices. The solution was deployed through a cloud-based platform, allowing Crown Bioscience researchers to submit quantum computing jobs without requiring deep expertise in quantum mechanics. Training programs were conducted to familiarize Crown Bioscience’s staff with quantum computing concepts and the specific tools developed for their workflows. The implementation also included establishing benchmarking protocols to continuously evaluate the performance advantages of quantum algorithms compared to classical methods as quantum hardware improved.

    Results and Business Impact

    The partnership yielded significant results in accelerating specific aspects of Crown Bioscience’s drug discovery pipeline. Early implementations demonstrated up to 100x speedup in calculating certain molecular properties compared to classical methods, particularly for systems involving strong electron correlation. The quantum algorithms showed promise in identifying novel drug-target interaction patterns that had been computationally intractable with classical approaches. From a business perspective, the integration of quantum computing capabilities positioned Crown Bioscience as an innovation leader in the competitive drug discovery services market. The company reported increased interest from pharmaceutical clients seeking cutting-edge computational approaches to drug development. The quantum-enhanced workflows enabled Crown Bioscience to take on more complex projects, particularly in areas like personalized medicine and rare disease research where traditional computational methods were inadequate. The partnership also generated valuable intellectual property, with several patent applications filed for quantum algorithms specific to drug discovery applications. Financial benefits included reduced computational costs for certain types of analyses and the ability to offer premium services to clients requiring advanced molecular modeling capabilities. The collaboration established both companies as pioneers in the practical application of quantum computing to pharmaceutical research.

    Future Directions

    Looking ahead, Cambridge Quantum and Crown Bioscience planned to expand their collaboration to tackle increasingly complex pharmaceutical challenges. Future developments include scaling the quantum algorithms to handle larger molecular systems, including full protein structures and protein-protein interaction networks. The partners aimed to develop quantum machine learning models for predicting drug side effects and toxicity, areas where classical methods have shown limited success. As quantum hardware continues to improve, the collaboration plans to migrate from proof-of-concept demonstrations to production-ready systems that can handle real-world drug discovery projects at scale. The partnership also envisions creating industry-specific quantum computing standards and best practices for pharmaceutical applications. Both companies are investing in research to develop quantum algorithms for personalized medicine, where patient-specific genetic information could be incorporated into drug design processes. The long-term vision includes establishing a quantum computing ecosystem for drug discovery, potentially involving other pharmaceutical companies and research institutions.


    Quick Facts

    Year
    2021
    Partner Companies
    Crown Bioscience
    Quantum Companies
    Cambridge Quantum Computing
    Quantinuum

    Technical Details

    Quantum Hardware
    Honeywell System Model H1
    IBM Quantum Falcon
    IonQ Harmony
    D-Wave Advantage
    Quantum Software
    TKET

    Categories

    Industries
    Pharmaceutical
    Healthcare
    AI and Machine Learning
    Chemical Manufacturing
    Algorithms
    Variational Quantum Eigensolver (VQE)
    Quantum Annealing (QA)
    Quantum Fourier Transform (QFT)
    Quantum Phase Estimation (QPE)
    Target Personas
    Quantum Algorithm Developer
    Quantum Chemist
    Quantum Solutions Provider
    Domain Expert
    Business Decision-Maker
    Quantum Cloud and Platform Provider

    Additional Resources

    https://cambridgequantum.com/press-releases/https://www.quantinuum.com/news/quantinuum-advances-quantum-computing-for-drug-discoveryhttps://www.scientificamerican.com/article/how-quantum-computing-could-remake-chemistry/https://www.nature.com/articles/s41587-023-01680-3