File(s) under embargo

175

days

13

hours

until file(s) become available

Visual Analysis of Patterns and Substructure Interactions in Complex Chemical Compounds

thesis
posted on 16.03.2020 by Ruimin Gao

Substructure composition can determine the activity of compounds. To understand the potential factors affecting the compound activity, users need first to analyze patterns and how substructures interact with each other. In addition to the traditional statistical approach, interactive visualization can bring significant value with intuitive analysis and involvement of human judgment. This research study presents an interactive visualization system for visual pattern analysis. With various visualizations and data manipulation, the system enables users to explore patterns and their relationships, as well as discover how substructures interaction may affect the activity of compounds. Users will be able to derive insights and better understand the data effectively and potentially benefit from the analysis in fields such as drug discovery.

History

Degree Type

Master of Science

Department

Computer Graphics Technology

Campus location

West Lafayette

Advisor/Supervisor/Committee Chair

Yingjie Chen

Additional Committee Member 2

Tim McGraw

Additional Committee Member 3

Yu Zhu

Licence

Exports

Logo branding

Licence

Exports