Molecular Analysis



By combining Molecular Analysis Pro with Molecular Modelling Pro the chemist has a complete quantitative modelling system for analysis of the relationships between structure and experimental properties of molecules.

Modelling methods include multiple regression, partial least squares regression and principle component analysis.

Special routines are included for mixtures such as replacement of one compound by others, calculation of synergism and calculation of solubility parameters.

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Copyright 1995-2011 - Last updated 05-March-2015