Find chemical systems such as pure and mixed
solvents by specifying a property value range.

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Identification of multi-component systems

ChemRange search is targeting pure compounds and multi-components systems. The latter include binary and ternary mixtures. Their components (also
called constituents) are listed in result entries in the same way as pure compoundsare: by name, compositional formula and, if available, CAS Registry Number.

As mentioned for pure compounds, the current ThermoML Archive does not utilize structural encoding, although tags therefore have been specified in the ThermoML schema. We are building our own annotation library of ThermoML compound entries, employing the SMILES and CurlySMILES language, to be able to structurally organize data and to model compound and mixture properties based on molecular structure and similarity.


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