Characteristics of active and inactive compounds.
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https://figshare.com/articles/dataset/_Characteristics_of_active_and_inactive_compounds_/320714
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资源简介：
aHighest occupied molecular orbital energy.
bLowest unoccupied molecular orbital energy.
cHOMO-LUMO energy gap.
dOctanol/water partition coefficient using Ghose-Crippen method.
eSolvation energy using Truhlar model SM5.4.
fDipolar moment.
创建时间：
2015-12-02
