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BioNumerik Pharmaceuticals, Inc. Feature

Core Capabilities

BioNumerik views its mechanism-based approach, which combines medicine, quantum physics, and pharmaceutical sciences with high performance computing, as a promising and powerful approach to drug discovery and development. We believe there are a number of key advantages that set our approach apart from traditional and emerging approaches.

  • Characterization of Quantitative- / Semi-Quantitative Analysis of Molecular Properties

    BioNumerik's approach begins by defining the desired clinical and chemical / biochemical performance properties for potential new drug candidates. We can then use physics-based computer simulations and laboratory evaluation to engineer and test compounds designed to meet these characteristics.


    Because of the quantum and statistical mechanics aspects of our approach, we have a basis to identify and rank the potential efficacy, safety, metabolism, formulation, and chemical properties of new compounds in a quantitative or semi-quantitative manner.

  • Integrated Evaluation and Optimization

    BioNumerik's high-performance computing center has been integrated with its laboratory facilities to promote real-time evaluation and optimization of the drug discovery process.


    The use of high-performance computers creates the potential for a faster and more comprehensive examination of large numbers of new molecular entities.

  • Using Physics Based Simulations in Combination with Experimental Laboratory Support

    We believe that traditional technologies based on screening for biochemical/biological activity alone are less likely to be successful in a competitively sustainable manner because of the infinite chemical and structural possibilities for any new drug and because there are many other properties that are needed in order to engineer a new drug, such as drug formulation, delivery, safety and metabolism.


    A mechanistic information-based approach that, by the combined use of physics based simulations of biological, chemical and biochemical interactions combined with laboratory observations effectively reduces the number of molecular considerations in a non-random and knowledge-based manner, has greater potential to be effective in discovery and development.

  • Early and Concurrent Examination of Multiple Molecular Performance Characteristics

    Our approach and technology are based on the expedient, concurrent examination of multiple pharmaceutical performance characteristics very early in the discovery process.


    This approach offers a distinction from rational drug design and other approaches that primarily focus only on targeting and potency by including other important performance characteristics such as safety, delivery, formulation, and synthesis.

  • Overcomes Physical Challenges of Synthesis, Isolation, Purification, and Identity of Novel Chemical Entities

    Combinatorial chemistry and related approaches frequently rely on the use of simple, well-known chemical reactions, inexpensive materials, and limited experimental conditions (i.e., room temperature and no pressure or vacuum) to rapidly generate large numbers of organic compounds. As a result, combinatorial chemistry may exclude a wide range of compounds that cannot be made under such circumstances, and can also be prone to contamination with inadvertently synthesized compounds.


    BioNumerik's mechanism-based approach is not subject to many of the inherent limitations of combinatorial chemistry and provides a potentially broader range of compounds for analysis. With the use of high-performance computing systems, we can focus on attributes including safety, delivery, formulation and synthesis before the compound is physically produced for clinical testing.