E_state_S_all_atoms

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E_state_S_all_atoms

January 9, 2015 Leave a comment2D Descriptors, 2D Topological Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

Sum of E-state for all atoms (including H)

About the author

Young-Mook Kang, PhD

I have great experience with multiple computer languages, including C++, Java, Python, etc. since I began to study on Assembly, Basic and C languages in 1988. Additionally, I have a Master degree of computational chemistry, a Ph.D. degree in computational biology and over 16 years of experience working as a scientific software programmer in Bioinformatics and Cheminformatics.

COMMA2_d_cc_cn
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COMMA2_d_cr_cn
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COMMA2_d_ch_cp
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COMMA2_d_ce_ch
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COMMA2_d_ce_cp
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COMMA2_d_cc_ch
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