CBB Seminar 11am Tue April 22, B2 library

Jie Chen

 

PubChem Structure Search:  Comprehensive Chemical structure search tool for PubChem Compound database

Structure Search service in PubChem allows PubChem Compound Database to be queried by chemical structure. 
It enhances the data mining ability for chemical molecules in PubChem, and provides various search methods
 to screen tens of millions of chemical structures timely. The re-designed user interface attempts to make
 the scientific information in PubChem easily and efficiently accessible to a wide diversity of users. 
The support from the QM job tracking and management system ensures the service performing reliably. 
The connection with Entrez and Entrez history provides a gateway for the PubChem structure search users
 to link to other resources, narrow the search range and perform more comprehensive queries, to optimize 
the research utility. The programmatic interfaces of PubChem Structure Search allow the service being easily 
integrated into other applications to convenient different research activities.  

 In this presentation, I will explore aspects of the methodology used to create the PubChem Structure Search
 service and demonstrate its performance.