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        Bioinformatics Tools

Mold2

                        
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          Mold2Bioinformatics Tools Mold2
  			Free software for fast-calculating descriptors from a two-dimensional chemical structure that is suitable for small and large datasets
	
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    PrintDescriptors Generator Software

Free software for fast-calculating descriptors from a two-dimensional chemical structure
	Suitable for small and large datasetsMold2 calculates a large and diverse set of molecular descriptors encoding two-dimensional chemical structure information. Comparative analysis of Mold2 descriptors with those calculated from commercial software on several published datasets demonstrated that Mold2 descriptors convey sufficient structural information. In addition, better models were generated using Mold2 descriptors than the compared commercial software packages. This publicly available software is developed by the Center for Bioinformatics, which is led by Dr. Weida Tong, at the National Center for Toxicological Research (NCTR).

Download

Visit https://www.fda.gov/science-research/mold2/access-Mold2 to access Mold2.


Click here to view the Mold2 Tutorial

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.

*Mold2 is a product designed and produced by the National Center for Toxicological Research (NCTR).  FDA and NCTR retain ownership of this product.*

Resources For You

About the National Center for Toxicological Research
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	Mold2 News and Publications

                                                                                  Content current as of:
      05/17/2022
                  
                   
Topic(s)
			  Toxicology
				    				       				    				       BioinformaticsMold2                
                          

                        Mold2 News and Publications
 
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