The invention is a software package used to analyze complex polymer mixtures based on structural information only.
Suggested Uses
The package is currently being expanded to include functionality which will allow the creation of structure-property relations automatically given sufficient experimental data. Also, functionality will be added which links the software with optimization routines, which will allow Computation Molecular Design (CMD) studies to be performed easily.
Detailed Description
Descripto is a software package written to perform the polymer visualization, structural descriptor caculations, and property value estimations for urethanes and other crosslinked materials. Polymer properties are computed based on correlations with group contributions and connectivity indices. Descripto conatains functions that will be used later to develop new property correlations and optimize polymer properties.