Molecular Knowledge Systems

Bedford,  NH 
United States
  • Booth: 932

We provide: Cranium, software for physical property estimation; Synapse, software for chemical product design; consulting services for chemical product innovation.


    SYNAPSE can generate and screen new molecular structures and mixtures. Synapse automatically constructs new chemicals and formulations, predicts their macroscopic physical properties, and screens these properties against a set of design constraints....

  • Synapse is an advanced chemical product design software tool giving you a radically new approach for designing molecules and formulations that possess desired physical properties. You first enter constraints, such as the need to form an azeotrope with water, minimum solubility limits, maximum volatility and minimum flash point. Synapse then generates thousands of candidate molecules computationally assembling each candidate’s molecular structure atom by atom. Mixture formulations are similarly generated by choosing from hundreds of possible components and enumerating thousands of compositions. Synapse finally estimates the physical properties of each of these candidates using a database of more than 300 computational models and evaluates each design constraint identifying those candidates which satisfy all design constraints.
    Synapse has been used to design many chemical products including new solvents, aircraft deicing fluids, novel heat transfer fluids, jet fuel additives and improved rocket fuels.
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