| # | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
|---|---|---|---|---|---|---|---|
| 1 | Fruity | 1.0 < nCsp2 < 3.0 et MAXDP < 74.738 et 1.186 < IC1 < 2.248 et 1.436 < SpAD_A < 3.041 |
52.09 | 460 | 570 | 773 | |
| 2 | Floral | 1.0 < nBnz < 4.0 et 0.447 < SM2_H2 < 0.504 et 0.078 < VR1_H2 < 0.111 et 0.349 < SpPosA_Dt < 1.826 |
41.79 | 372 | 476 | 786 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| IC1 | Information Content index (neighborhood symmetry of 1-order) | Information indices | Indices of neighborhood symmetry | |
| MAXDP | maximal electrotopological positive variation | Topological indices | E-state indices | |
| SpAD_A | spectral absolute deviation from adjacency matrix | 2D matrix-based descriptors | Adjacency matrix (A) | |
| VR1_H2 | Randic-like eigenvector-based index from reciprocal squared distance matrix | 2D matrix-based descriptors | Reciprocal squared distance matrix (H2) | |
| nCsp2 | number of sp2 hybridized Carbon atoms | Constitutional indices | Basic descriptors | |
| SpPosA_Dt | normalized spectral positive sum from detour matrix | 2D matrix-based descriptors | Detour matrix (Dt) | |
| nBnz | number of benzene-like rings | Ring descriptors | Basic descriptors | |
| SM2_H2 | spectral moment of order 2 from reciprocal squared distance matrix | 2D matrix-based descriptors | Reciprocal squared distance matrix (H2) |