Table 4 The top-ranked ES descriptors of 224 PPARĪ³ agonists with both TZD and carboxylic acid cores
ES descriptors | Rank | Sign of Ī² ES |
|---|---|---|
Count_ssO | 1 | - |
Sum_ssO | 2 | - |
Sum_aaO | 3 | + |
Count_aaO | 4 | + |
Sum_aaaC | 5 | + |
Count_aaaC | 6 | + |
Count_sssN | 7 | + |
Sum_sssN | 8 | + |
Count_aaNH | 9 | + |
Sum_aaNH | 10 | + |
Sum_aaN | 11 | + |
Count_aaN | 12 | + |