LiqCryst 5.0 is a MS-Windows-based application that allows easy access to a unique database of structures and properties of liquid crystalline compounds. The LiqCryst database contains information about currently known thermotropic liquid crystalline compounds. Structures and associated data for about 110,100 compounds have been collected from about 120,000 references. LiqCryst provides all available physical data and also allows graphical statistical analysis - e.g. of the change of phase transition temperatures in homologous series - and predictions of transition temperatures depending on structure.
Main features of LiqCryst
- Data analysis: LiqCryst allows simple statistical analysis of structure / property relationships, e.g. two substructures can be compared by their transition temperatures.
- Data prediction: as a first step to an expert system, the program gives the opportunity to predict transition temperatures of new compounds by statistical extrapolations from known similar compounds.
- Search by connectivity: a substructure can be drawn with any drawing program or with LiqCryst itself.
- Search by line notation: a substructure can be given as simple text like CH3-Ph-COO-Ph-CN.
- Data exchange with other Windows programs: chemical structures, drawings, text informations and numerical data can be easily exchanged with word processors (e.g. Winword), spreadsheets (e.g. Excel), molecular modelling programs (e.g. MOPAC, HyperChem) and chemistry drawing tools (e.g. IsisDraw, ChemDraw) via the clipboard.
- Graphical display: a graphical display and numerical analysis of material parameters (e.g. density, refractive index, order parameter etc…) versus temperature is available.
Numerical tables of temperature dependent physical parameters are listed in a property type.
These tables generate automatically diagrams.
A full set of functions and forms has been added to LiqCryst to allow display and analysis of tables of parameters.