Table 36 Cross-validation error metrics for various topological indices.
From: Data-driven analysis of chemical graph of carbazole and diketopyrrolopyrrole
Index name | \(R^2\) | \(Q^2\) | MAE | MSE | RMSE |
|---|---|---|---|---|---|
\(\lambda _2(G)\) | 0.9982 | 0.9967 | 0.348 | 0.316 | 0.562 |
\(\lambda _3(G)\) | 0.9976 | 0.9962 | 2.289 | 11.293 | 3.361 |
\(R\lambda _1(G)\) | 0.9997 | 0.9992 | 0.232 | 0.140 | 0.374 |
\(R\lambda _2(G)\) | 0.9991 | 0.9984 | 0.116 | 0.035 | 0.187 |
AZI(G) | 0.9990 | 0.9981 | 0.6963 | 1.2647 | 1.1246 |
\(ReZG_1(G)\) | 0.9979 | 0.9960 | 0.06906 | 0.02485 | 0.1577 |
\(ReZG_2(G)\) | 0.9971 | 0.9953 | 0.4644 | 0.6812 | 0.8253 |
\(ReZG_3(G)\) | 0.9986 | 0.9972 | 2.12 | 10.02 | 3.17 |
