Accelrys

Polymer Properties - Advanced Features

Polymer Properties is based on statistical models derived from a large database of polymeric structures. It captures the scientific work of Jozef Bicerano*

Polymer Properties gives users access to advanced features that can be accessed quickly and easily that allows tuning the accuracy of the prediction based on supplemental experimental data or research efforts leveraging focused types of chemistry. For example:

  • replace or augment the original experimental data with experimental results from proprietary compounds.
  • recreate the statistical correlations with a focused set of polymer structures that represents a specific chemistry of interest.

Easily replace standard correlations with custom correlations as shown below. The first pipeline reads the data and feeds it into a so-called learner component that generates the custom equation for a focused data set. The second pipeline calculates properties based on standard and custom correlations and compares the results.

Easily replace standard correlations with custom correlations.
* J. Bicerano, Prediction of Polymer Properties, Marcel Dekker, NY, 2002.