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. 2016 Apr 19;4:e1958. doi: 10.7717/peerj.1958

Table 2. Summary of statistical analysis of active and inactive classes of influenza A and B neuraminidase inhibitors.

Descriptor Influenza A Influenza B
Active Inactive p-value Active Inactive p-value
MW 343.234 ± 56.916 328.415 ± 83.823 0.085 312.466 ± 44.641 357.692 ± 76.866 <0.05
RBN 7.061 ± 2.183 5.248 ± 2.681 <0.05 5.689 ± 2.043 7.233 ± 2.561 <0.05
nCIC 1.514 ± 0.655 2.109 ± 1.316 <0.05 1.444 ± 0.546 1.709 ± 0.852 <0.05
nHDon 4.743 ± 1.257 4.321 ± 2.029 <0.05 4.578 ± 1.34 4.849 ± 1.561 0.302
nHAcc 7.777 ± 1.502 7.204 ± 2.153 <0.05 7.156 ± 1.731 8.337 ± 1.334 <0.05
ALogP 0.049 ± 1.256 0.853 ± 2.475 <0.05 −0.128 ± 1.291 −0.017 ± 1.602 0.67
TPSA 125.205 ± 24.37 120.033 ± 37.06 0.169 114.592 ± 27.661 134.168 ± 25.007 <0.05
Qm 0.163 ± 0.02 0.179 ± 0.055 <0.05 0.158 ± 0.013 0.168 ± 0.018 <0.05
Energy −0.274 ± 0.083 −0.246 ± 0.119 <0.05 −0.276 ± 0.099 −0.249 ± 0.089 0.129
Dipole moment 4.101 ± 1.972 4.328 ± 2.003 0.336 3.831 ± 1.601 4.364 ± 2.011 0.101
HOMO −0.352 ± 0.011 −0.343 ± 0.015 <0.05 −0.351 ± 0.009 −0.35 ± 0.013 0.573
LUMO −0.006 ± 0.018 −0.021 ± 0.022 <0.05 −0.013 ± 0.01 −0.003 ± 0.023 <0.05
HOMO-LUMO 0.346 ± 0.023 0.322 ± 0.03 <0.05 0.339 ± 0.014 0.347 ± 0.029 <0.05