Today’s chemical products must not only possess superior performance but also low
toxicity and environmental compatibility, while being safe and highly innovative. Satisfying
all these often conflicting constraints is a challenge for product designers. Synapse is a
software tool which greatly assists in the design of better chemical products.
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 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.
Synapse helps with the tasks needed to design improved
Developing detailed, quantitative constraints on physical
properties and molecular structure
Compiling or developing physical property estimation
techniques tailored for the specific chemicals being
Computationally generating and testing thousands of
molecular structures or mixture formulations identifying
those that satisfy your design constraints
Synapse’s graphical design capabilities gives you manual control
over the search for new chemical products. To design new
chemicals you to simply draw candidate molecular structures.
To design new mixtures you simply enter components and
compositions. Synapse then estimates required physical properties,
evaluates design constraints and presents the results
graphically. Using Synapse’s graphical design you can
investigate the effect of changing your current product’s
structure or composition, identify conflicting design
constraints and discover relationships between molecular
structure and physical properties.
Synapse’s combinatorial design capabilities enable you to
automatically search through thousands of candidate products
to find those that satisfy design constraints. Synapse
generates thousands of candidate chemicals by assembling
each candidate’s molecular structure atom by atom. Synapse
generates thousands of novel mixture formulations by
combining hundreds of components and compositions.
Synapse contains hundreds of physical property estimation
techniques. To estimate a chemical’s or mixture’s physical
property, Synapse begins by collecting all applicable estimation
techniques. Synapse then analyzes these techniques finding the
one which is most appropriate for your entered compound. If
Synapse requires other properties to perform the estimation
it automatically repeats the previous steps to estimate the
required property. Using a C-like language you can enter
your own estimation techniques and thus tailor Synapse
to your specific chemical product design needs.