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Mold2 News and Publications

Access download for Mold2 Version 2.0, step-by-step tutorial, Mold2 descriptors, journal abstract, and contact information for questions or suggestions at NCTR.


DOWNLOAD THE NEW MOLD2 VERSION


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 

Publications

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

Mold2
Download Mold2

Mold2 Descriptors (PDF - 47KB)
Brief description of the 777 molecular descriptors calculated from 2D structures.

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