Table 3 The top-ranked ES descriptors of 178 carboxylic acid PPARĪ³ agonists
ES descriptors | Rank | Sign of Ī² ES |
|---|---|---|
Sum_ssO | 1 | - |
Count_ssO | 2 | - |
Sum_aaO | 3 | + |
Count_aaO | 4 | + |
Count_aaaC | 5 | + |
Sum_ssCH2 | 6 | - |
Count_aaaC | 7 | + |
Count_ssCH2 | 8 | - |
Count_aaNH | 9 | + |
Sum_aaNH | 10 | + |
Count_ssssC | 11 | - |
Sum_sssN | 12 | + |