Table 3. The results of the four scoring functions for the planar and buckled TOTA analogues. GoldScore (GS), ChemScore (CS), piecewise linear potential (ChemPLP) and Astex Statistical Potential (ASP) were used.
| Compound | GS | CS | ChemPLP | ASP |
| TOTA | 70.7 | 16.2 | 77.7 | 42.9 |
| TOTA-OH | 61.4 | 14.3 | 59.0 | 31.8 |
| TOTA-OMe | 61.4 | 11.8 | 54.2 | 29.5 |
| TOTA-OEt | 61.5 | 12.7 | 53.5 | 28.4 |
| ADOTA | 72.7 | 17.3 | 79.6 | 47.0 |
| ADOTA-OH | 65.0 | 16.6 | 65.5 | 36.3 |
| Pr-ADOTA | 79.0 | 14.5 | 91.5 | 43.5 |
| Pr-ADOTA-OH | 70.0 | 14.7 | 64.1 | 31.7 |
| Pr-DAOTA | 82.0 | 15.2 | 97.0 | 42.1 |
| Pr-DAOTA-OH | 74.4 | 14.2 | 72.8 | 28.6 |
| n-Butyl-TATA | 101.7 | 18.7 | 119.2 | 40.6 |
| n-Butyl-TATA-OH | 88.9 | 16.5 | 100.8 | 34.8 |