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Table 2 The top-ranked ES descriptors of 46 TZD PPARĪ³ agonists

From: A tandem regression-outlier analysis of a ligand cellular system for key structural modifications around ligand binding

ES descriptors

Rank

Sign of Ī²ES

Count_ssO

1

-

Sum_ssO

2

-

Sum_sssN

3

+

Count_sssN

4

+

Count_ssCH2

5

+

Sum_aaO

6

+

Count_aaO

7

+

Count_sCH3

8

-

Sum_aaN

9

+

Count_aaN

10

+

Count_dsCH

11

-

Sum_dsCH

12

-