Pharma Research Information Management Research

Diversity Map

Given a set of molecules, draw a 2D figure such that close componds
are easily identified and proximity of close compounds means something.

Procedure:

• Compute Minimum Spanning Tree
• Layout angles of connections of each node optimizing distance relationship
• Place nodes in 2D by connecting them given the angles of the connectors
• Flip connections if needed to improve distance relationships

Application Features:

• Diversity Map
• Diversity measure of input set
• Zoom
• Client-side image map to display structures