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. Author manuscript; available in PMC: 2019 Sep 8.
Published in final edited form as: Mol Pharm. 2019 May 3;16(6):2605–2615. doi: 10.1021/acs.molpharmaceut.9b00182

Table 7.

Top 10 Molecular Descriptor Features for the ABDT Classification of Orthosteric and Allosteric Ligands on the CB1 Receptor

features min max mean SD skewness kurtosis
smr_VSA7 CB1O 11.760 147.629 64.037 25.234 0.372 −0.006
CB1A 0.000 168.852 56.255 23.421 0.692 2.119
slogp_VSA2 CB1O 0.000 82.679 29.892 15.362 0.737 0.296
CB1A 0.000 94.932 42.720 17.653 0.187 −0.381
slogp_VSA5 CB1O 0.000 122.499 48.751 24.375 0.458 −0.565
CB1A 0.000 96.815 34.469 18.617 0.303 −0.054
Chi1v CB1O 5.520 20.013 11.224 1.826 0.727 2.089
CB1A 3.813 18.165 10.420 2.782 0.610 1.050
slogp_VSA3 CB1O 0.000 34.435 9.769 7.555 0.921 0.660
CB1A 0.000 32.396 13.916 7.599 −0.067 −0.705
peoe_VSA1 CB1O 0.000 30.531 9.963 5.314 0.473 0.661
CB1A 0.000 29.744 14.913 5.586 −0.007 0.118
Chi3v CB1O 3.196 11.702 6.511 1.547 0.715 0.488
CB1A 1.862 13.005 5.771 1.964 1.173 1.928
smr_VSA3 CB1O 0.000 30.001 8.879 6.819 0.550 −0.256
CB1A 0.000 35.936 14.548 9.091 0.222 −0.878
slogp_VSA8 CB1O 0.000 28.333 8.584 8.689 0.521 −0.903
CB1A 0.000 22.973 10.330 6.172 −0.169 −0.088
peoe_VSA9 CB1O 0.000 46.264 12.496 9.333 0.585 0.016
CB1A 0.000 36.107 12.150 8.637 0.545 −0.290