Research Article
Development and Validation of Quantitative Structure-Activity Relationship Models for Compounds Acting on Serotoninergic Receptors
Table 7
Observed and predicted values of activity for Equations (5), (6), and (15).
| Compound | (5) | (6) | (15) | Observed | Predicted | Residual | Observed | Predicted | Residual | Observed | Predicted | Residual |
| 1 | — | — | — | 7.97 | 7.26 | 0.71 | 5.10 | 4.78 | 0.32 | 2 | 7.60 | 7.30 | 0.30 | 7.99 | 8.04 | −0.05 | 7.30 | 7.19 | 0.11 | 3 | 7.00 | 7.39 | −0.39 | 7.88 | 8.11 | −0.23 | 6.90 | 6.29 | 0.61 | 4 | 7.90 | 8.02 | −0.12 | 8.04 | 7.85 | 0.19 | 5.70 | 6.64 | −0.94 | 5 | 6.00 | 6.93 | −0.93 | — | — | — | 7.50 | 7.53 | −0.03 | 6 | 9.90 | 8.46 | 1.44 | 8.16 | 8.41 | −0.25 | 6.69 | 7.43 | −0.74 | 7 | 8.10 | 8.29 | −0.19 | 8.10 | 7.83 | 0.27 | 7.20 | 7.34 | −0.14 | 8 | 8.40 | 8.62 | −0.22 | — | — | — | 6.60 | 6.23 | 0.37 | 9 | 8.22 | 8.55 | −0.33 | — | — | — | 8.73 | 8.45 | 0.28 | 10 | 7.40 | 7.39 | 0.01 | — | — | — | 8.79 | 7.94 | 0.85 | 11 | 9.70 | 9.90 | −0.20 | 8.09 | 7.62 | 0.47 | 7.50 | 8.12 | −0.62 | 12 | 7.40 | 7.31 | 0.09 | — | — | — | 9.20 | 8.66 | 0.54 | 13 | 8.40 | 8.10 | 0.30 | 6.88 | 7.41 | −0.53 | 7.99 | 8.10 | −0.11 | 14 | 7.70 | 7.61 | 0.09 | 7.70 | 7.85 | −0.15 | 6.35 | 6.93 | −0.58 | 15 | 6.60 | 6.69 | −0.09 | 5.80 | 6.05 | −0.25 | — | — | — | 16 | 6.40 | 6.57 | −0.17 | 6.30 | 6.31 | −0.01 | — | — | — | 17 | 6.60 | 6.45 | 0.15 | 6.20 | 6.21 | −0.01 | — | — | — | 18 | 7.40 | 7.45 | −0.05 | 7.60 | 7.77 | −0.17 | 7.30 | 6.86 | 0.44 | 19 | 6.40 | 5.89 | 0.51 | — | — | — | — | — | — | 20 | 7.50 | 7.70 | −0.20 | — | — | — | 6.08 | 6.43 | −0.35 |
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