About Web-GDB13

"GDB-13 enumerates small organic molecules up to 13 atoms of C, N, O, S and Cl following simple chemical stability and synthetic feasibility rules. With 977 468 314 structures, GDB-13 is the largest publicly available small organic molecule database to date".Web-GDB13 is designed and constructed to facility data-sharing and information exchange among PCMLD scientific research communities with online structure search functions and data analysis tools implemented.

We acknowledge the computational resource and technical support of Pittburgh Supercomputing Center(PSC).

To cite GDB-13, please reference:
Blum L. C.; Reymond J.-L. J. Am. Chem. Soc.,2009, 131 (25), 8732-8733


  • Current version Demo 0.99(with all the compounds of the GDB13)
  • About Java Plugin Problem. Click here for the solution.
User Name
Forget? Here
New user? register here

Web-GDB13 Database was created and maintained by Prof.  Xiang-Qun (Sean) Xie’s laboratory

cdk mysql apache php openbabel

Any comment, suggestion or request, please send us an email.

Copyright©2009 Web-GDB13. All rights reserved.

(Last updated on Nov, 2010)