Search system for chemical compound having biological activity

A search system for a chemical compound having a biological activity comprising:

• a search table and an exemplar table, wherein the search table and the exemplar table record information representing structural features or physical/chemical features for a plurality of chemical compounds, and wherein the search table and the exemplar table can further record information representing a biological activity including a biological response or a biological effect level;
• a chemical compound searcher, wherein the chemical compound searcher:
• obtains at least one chemical compound as a specified chemical compound based on the chemical compounds recorded on the exemplar table;
• obtains feature vectors representing the structural features or the physical/chemical features for the specified chemical compound and the chemical compound recorded on the search table;
• calculates a feature vector distance between the feature vector of the specified chemical compound and each chemical compound recorded on the search table;
• and
• obtains a chemical compound recorded on the search table as a similar chemical compound in response to the feature vectors distances, and
• a GUI for displaying the similar chemical compound and information representing a biological activity of the similar chemical compound.