bcut module

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The calculation of Burden eigvenvalue descriptors. You can get 64

molecular decriptors. You can freely use and distribute it. If you hava

any problem, you could contact with us timely!

Authors: Zhijiang Yao and Dongsheng Cao.

Date: 2016.06.04

Email: gadsby@163.com

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bcut.CalculateBurdenElectronegativity(mol)

Calculate Burden descriptors based on atomic electronegativity.

bcut.CalculateBurdenMass(mol)

Calculate Burden descriptors based on atomic mass.

bcut.CalculateBurdenPolarizability(mol)

Calculate Burden descriptors based on polarizability.

bcut.CalculateBurdenVDW(mol)

Calculate Burden descriptors based on atomic vloumes

bcut.GetBurden(mol)

Calculate all 64 Burden descriptors