This software calculates a total of 31 descriptors connected to the metal, semimetal, and nonmetals obtained from the periodic table. It computes descriptors for elements having atomic numbers less than 103. Elements with the least ionization potential energy of the corresponding class (metal/nonmetal/semimetal) are considered for respective descriptor calculation. The calculated periodic table-based descriptors could be applied alone or in combination with other simple descriptors for modeling.

Download from here (uploaded to this site on November 10, 2023)

Ref: Environ. Sci.: Nano, 2023, 10, 2989-3011, https://doi.org/10.1039/D3EN00598D 

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Mixture Descriptor Calculator quickly computes mixture descriptors using a weighted descriptor generation approach (Chatterjee M, Roy K,  Journal of Hazardous Materials 408 (2021) 124936, https://doi.org/10.1016/j.jhazmat.2020.124936 ).

This tool is compatible with Windows x86 (32 bit).

Download link v 1.0 (Restricted) Release date December 03, 2021