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U.S. Department of Health and Human Services

Science & Research

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Mold2 News and Publications



New Mold2 Version 2.0 Released (July 2011) 

The latest version of Mold2 with the following notable improvements:

  1. Step-by-step tutorial
  2. Mold2 can be run on both Windows and Linux systems
  3. Improved interface, calculation performance, and output 


Hong, H., Xie, Q., Ge, W., Qian, F., Fang, F., Shi, L., Su, Z., Perkins, R., and Tong, W. 2008. Mold2, molecular descriptors from 2D structures for chemoinformatics and toxicoinformatics. Journal of Chemical Information and Modeling. 48(7):1337–1344. Abstract


Contact Information

Please address any questions or suggestions to Dr. Huixiao Hong, National Center for Toxicological Research, at 870-543-7296 or Huixiao.Hong@fda.hhs.gov.


More Resources


Contact FDA

National Center for Toxicological Research

Food and Drug Administration

3900 NCTR Road

Jefferson, AR 72079