Accelrys

Polymer Properties - Configuration and Customization

Customization

Incorporate your results into easily customizable, interactive reports with drill-down capabilities to generate reports for the different levels of management. The reporting capabilities will allow you to see different views of your data, including side-by-side comparisons of information from different data sources and data that was processed in alternate ways.

For example, recurring workflows such as comparison of repeat units, copolymer screening, or study of temperature can be captured and reported out in one easy to read report to improve data analysis.

Additionally, the presentation of results can easily be configured for different application scenarios. For example, if repeat units are compared, results can conveniently be displayed in bar graphs as seen below.

Repeat units are displayed as a scientist moves the mouse cursor over individual bars.

Configuration

With Polymer Properties it is easy to capture and share scientific and workflow best practices to improve research productivity. You can easily construct workflows by graphically combining functionalities.

Scientific knowledge

Improve the accuracy of the predictions by performing a quick geometry optimization followed by a conformational analysis of repeat units.

A repeat unit is subjected to a geometry optimization followed by a conformational analysis. After that, the most elongated repeat unit is selected for the prediction.

Workflow knowledge

Capture and deploy workflows to ensure accurate and reliable results across the department. Three possible workflows:

  • Comparison of homopolymers,
  • Study of temperature dependence, and
  • Property prediction of random copolymers