| # | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
|---|---|---|---|---|---|---|---|
| 1 | 8.0 < animal | nBM = 10.0 et O% < 2.4 |
100.0 | 3 | 3 | 3 | |
| 2 | 8.0 < animal | nBM = 10.0 et RBN < 0.0 |
100.0 | 3 | 3 | 3 | |
| 3 | vegetable < 1.0 et 7.0 < woody |
1.133 < Mi < 1.134 et nH = 28.0 |
100.0 | 3 | 3 | 3 | |
| 4 | dusty < 3.0 et 7.0 < woody |
1.133 < Mi < 1.134 et nH = 28.0 |
100.0 | 3 | 3 | 3 | |
| 5 | 2.0 < coniferous < 3.0 et 3.0 < powdery |
1.127 < Mi < 1.13 et 3.0 < nCIC |
100.0 | 3 | 3 | 3 | |
| 6 | 2.0 < coniferous < 3.0 et 3.0 < powdery |
37.5 < C% < 38.6 et 3.0 < nCIC |
100.0 | 3 | 3 | 3 | |
| 7 | coniferous = 1.0 et 7.0 < woody |
1.133 < Mi et 1.0 < nR07 |
100.0 | 3 | 3 | 3 | |
| 8 | 4.0 < animal et 2.0 < erogenic < 3.0 |
nBM = 10.0 et 8.0 < nCsp2 < 11.0 |
100.0 | 3 | 3 | 3 | |
| 9 | 4.0 < animal et 2.0 < erogenic < 3.0 |
nAB = 10.0 et 8.0 < nCsp2 < 11.0 |
100.0 | 3 | 3 | 3 | |
| 10 | 1.0 < smoky < 2.0 et 7.0 < woody |
nBM = 2.0 et 1.0 < nR07 |
100.0 | 3 | 3 | 3 | |
| 11 | coniferous = 3.0 | 1.0 < nCrt et 3.267 < MLOGP < 3.721 et 245.206 < SAtot < 358.224 |
100.0 | 3 | 3 | 3 | |
| 12 | honey = 1.0 et buttery = 2.0 |
3.0 < nO et 51.6 < H% < 57.9 et nRCOOR = 1.0 |
100.0 | 3 | 3 | 3 | |
| 13 | fresh < 2.0 et 8.0 < fruity |
184.31 < MW et 16.305 < Sv < 17.832 et 2.0 < nCrs < 4.0 |
100.0 | 3 | 3 | 3 | |
| 14 | fresh < 2.0 et 8.0 < fruity |
16.305 < Sv < 17.832 et 13.0 < nSK et 2.0 < nCrs < 4.0 |
100.0 | 3 | 3 | 3 | |
| 15 | honey = 1.0 et buttery = 2.0 |
51.6 < H% < 57.9 et nRCOOR = 1.0 et 3.0 < nHAcc |
100.0 | 3 | 3 | 3 | |
| 16 | 2.0 < aldehyde < 5.0 ou 6.0 < woody et 1.0 < citrusy |
1.144 < Mi < 1.146 et Ui < 0.0 et 3.186 < MLOGP < 4.44 |
100.0 | 5 | 5 | 5 | |
| 17 | tart < 2.0 et 4.0 < watery < 5.0 et sweet < 1.0 |
1.0 < nHDon et 311.751 < SAtot < 335.396 ou 64.7 < H% < 65.2 et 8.0 < nCs |
100.0 | 6 | 6 | 6 | |
| 18 | 4.0 < coniferous < 5.0 ou 4.0 < dusty et metallic < 1.0 et floral < 1.0 |
RBN < 0.0 et 3.0 < nCs < 8.0 et 1.0 < nCq |
100.0 | 7 | 7 | 7 | |
| 19 | citrusy < 0.0 et fatty < 2.0 |
18.0 < nSK ou 35.6 < C% ou nRCO = 1.0 ou -0.172 < MLOGP < 2.573 |
86.63 | 188 | 196 | 209 | |
| 20 | 1.0 < erogenic et 6.0 < powdery |
nCp = 6.0 ou 2.0 < nArNO2 |
85.71 | 6 | 7 | 6 | |
| 21 | 5.0 < erogenic < 7.0 | 25.332 < Sv < 25.563 et 44.0 < nBT ou 0.286 < ARR < 0.316 et 1.0 < RBN < 5.0 |
85.71 | 6 | 6 | 7 | |
| 22 | 3.0 < tart et 1.0 < medicinal < 3.0 et 1.0 < smoky |
1.0 < nPyridines ou TPSA(Tot) < 0.0 et 41.7 < C% < 50.0 |
85.71 | 6 | 7 | 6 | |
| 23 | 1.0 < erogenic < 5.0 ou 6.0 < woody et floral < 1.0 et 3.0 < powdery |
15.0 < nC < 17.0 et 2.0 < nCrq |
85.71 | 6 | 6 | 7 | |
| 24 | 1.0 < erogenic < 5.0 ou 6.0 < woody et floral < 1.0 et 3.0 < powdery |
59.6 < H% et 2.0 < nCrq |
85.71 | 6 | 6 | 7 | |
| 25 | 1.0 < erogenic < 5.0 ou 6.0 < woody et floral < 1.0 et 3.0 < powdery |
59.6 < H% et 2.0 < nCq |
85.71 | 6 | 6 | 7 | |
| 26 | 1.0 < watery et 1.0 < vegetable < 2.0 et 1.0 < buttery < 2.0 et 2.0 < dusty < 4.0 |
160.18 < MW < 206.36 et Mi < 1.129 et nCbH < 3.0 et 3.0 < nCconj < 4.0 |
85.71 | 6 | 7 | 6 | |
| 27 | 2.0 < animal < 3.0 ou 7.0 < erogenic et tart < 1.0 |
17.0 < nSK et nCt < 2.0 et 384.96 < SAtot < 438.243 |
84.61 | 11 | 12 | 12 | |
| 28 | 2.0 < watery < 5.0 et 4.0 < aldehyde |
Se < 37.258 et 10.0 < RBN < 11.0 ou 64.3 < H% < 65.2 et nCp < 2.0 |
84.61 | 11 | 11 | 13 | |
| 29 | 8.0 < woody | 15.0 < nC < 16.0 ou 1.0 < nR07 et nCt = 3.0 |
83.33 | 5 | 6 | 5 | |
| 30 | 5.0 < fatty | 8.0 < RBN < 10.0 ou 10.0 < nCsp3 < 11.0 et 1.0 < nOHp |
83.33 | 5 | 6 | 5 | |
| 31 | 2.0 < erogenic < 7.0 et 6.0 < powdery |
7.0 < nBM < 8.0 et nCIC = 2.0 ou 0.286 < ARR < 0.316 et 4.0 < nCp < 6.0 |
83.33 | 5 | 5 | 6 | |
| 32 | medicinal < 0.0 et buttery < 3.0 |
3.0 < RBN ou 13.0 < nC ou H% < 42.9 ou 1.0 < nRCHO |
82.48 | 179 | 192 | 204 | |
| 33 | medicinal < 0.0 et sweet < 5.0 |
12.0 < nSK < 21.0 ou 4.5 < O% < 7.1 ou nR06 < 0.0 et nArOH < 0.0 |
81.69 | 174 | 190 | 197 | |
| 34 | fresh < 3.0 et citrusy < 1.0 et fatty < 3.0 et buttery < 3.0 |
3.0 < nBM ou nR05 = 1.0 ou 1.0 < nArCHO ou 3.721 < MLOGP |
80.76 | 168 | 182 | 194 | |
| 35 | 6.0 < floral et 1.0 < lavender |
1.0 < nOHt et 2.545 < MLOGP < 2.894 |
80.0 | 4 | 4 | 5 | |
| 36 | 7.0 < woody | RBN < 0.0 et 1.0 < nR07 ou 3.941 < MLOGP < 4.145 |
80.0 | 8 | 8 | 10 | |
| 37 | 4.0 < watery < 7.0 ou 5.0 < fatty < 6.0 et green < 2.0 et 2.0 < floral < 4.0 |
8.0 < RBN < 10.0 et O% < 3.0 |
77.77 | 7 | 8 | 8 | |
| 38 | 4.0 < spicy et 1.0 < smoky |
1.0 < nN ou 2.0 < nCbH < 3.0 et 14.402 < Sv < 17.832 et 1.121 < Mi < 1.125 |
77.77 | 7 | 9 | 7 | |
| 39 | 6.0 < erogenic < 7.0 ou 6.0 < woody |
38.0 < nAT < 47.0 et 2.0 < nCIC < 3.0 |
76.47 | 13 | 15 | 15 | |
| 40 | 1.0 < sourish < 3.0 et floral < 2.0 et 4.0 < vegetable et sweet < 2.0 |
2.0 < nROR ou 235.547 < SAtot < 263.456 et 34.5 < C% < 46.2 et O% < 6.9 |
76.19 | 16 | 17 | 20 | |
| 41 | 6.0 < erogenic | Mi < 1.125 et 4.0 < nCp < 6.0 ou 254.46 < MW < 258.44 |
75.0 | 6 | 6 | 8 | |
| 42 | 6.0 < erogenic | 254.46 < MW < 258.44 ou 4.0 < nCp < 6.0 et 24.036 < Sv < 25.563 |
75.0 | 6 | 6 | 8 | |
| 43 | 4.0 < floral < 6.0 et 5.0 < anisic |
19.745 < Se < 20.073 et 0.6 < ARR et nCbH < 4.0 |
75.0 | 3 | 4 | 3 | |
| 44 | 3.0 < floral < 6.0 et fruity < 1.0 et 5.0 < powdery |
12.0 < nAB et 3.587 < MLOGP < 3.719 ou 0.286 < ARR < 0.316 et nCconj < 1.0 |
75.0 | 9 | 10 | 11 | |
| 45 | 3.0 < floral < 6.0 et fruity < 1.0 et 5.0 < powdery |
12.0 < nAB et 3.587 < MLOGP < 3.719 ou 0.286 < ARR < 0.316 et nR=Cs < 1.0 |
75.0 | 9 | 10 | 11 | |
| 46 | 3.0 < lavender ou 3.0 < fruity ou buttery = 2.0 et medicinal < 0.0 |
3.0 < RBN et 10.0 < nH < 26.0 et 45.5 < H% et 1.0 < nRCOOR |
73.33 | 66 | 81 | 75 | |
| 47 | aldehyde < 0.0 et 1.0 < vegetable < 4.0 et 1.0 < coniferous et smoky < 0.0 |
3.0 < nCrs < 5.0 ou 1.0 < nOHs et 1.0 < nR06 < 3.0 et 1.0 < nCrt |
72.72 | 16 | 19 | 19 | |
| 48 | 1.0 < anisic < 4.0 ou 4.0 < spicy et tart < 1.0 et 1.0 < dusty |
13.876 < Sv et 1.112 < Mi < 1.126 et 48.0 < H% et 1.0 < nArOR |
71.42 | 10 | 13 | 11 | |
| 49 | aldehyde < 0.0 et medicinal < 0.0 et 1.0 < erogenic |
22.036 < Sv < 25.563 ou 1.0 < nRCO et 32.6 < C% < 40.5 et 363.761 < SAtot < 438.243 |
70.37 | 19 | 23 | 23 | |
| 50 | fatty < 0.0 ou 1.0 < honey ou 5.0 < dusty et fresh < 4.0 |
H% < 58.5 et 37.9 < C% et -0.948 < Hy |
70.05 | 124 | 167 | 134 | |
| 51 | 3.0 < sourish < 4.0 et citrusy = 1.0 ou lavender = 4.0 et 2.0 < fruity < 6.0 |
5.0 < O% < 9.5 et 3.0 < nCsp2 < 5.0 et nRCOOR = 1.0 |
70.0 | 14 | 15 | 19 | |
| 52 | 3.0 < sourish < 4.0 et citrusy = 1.0 ou lavender = 4.0 et 2.0 < fruity < 6.0 |
3.0 < nCsp2 < 5.0 et nRCOOR = 1.0 et 1.619 < MLOGP < 3.584 |
70.0 | 14 | 15 | 19 | |
| 53 | 2.0 < green < 3.0 et 2.0 < metallic et 1.0 < aldehyde < 2.0 |
1.143 < Mi < 1.145 et 1.0 < nOHp |
66.66 | 4 | 5 | 5 | |
| 54 | fruity < 0.0 et sweet < 2.0 et 2.0 < balsamic < 3.0 |
4.0 < nCt ou 3.941 < MLOGP < 4.234 et -0.927 < Hy < -0.879 |
66.66 | 6 | 7 | 8 | |
| 55 | 1.0 < vegetable < 2.0 et 6.0 < medicinal |
nH < 9.0 ou nArCOOR = 1.0 et 1.117 < Mi < 1.123 et 1.859 < MLOGP |
66.66 | 4 | 4 | 6 | |
| 56 | 2.0 < floral et 6.0 < medicinal |
nH < 9.0 et 1.859 < MLOGP < 2.034 ou nArCOOR = 1.0 et 1.116 < Mi < 1.121 |
66.66 | 4 | 4 | 6 | |
| 57 | sweet = 6.0 ou 1.0 < aromatic et fresh < 4.0 ou 4.0 < fruity < 6.0 |
1.098 < Mi < 1.127 et H% < 56.0 et 4.0 < nCar < 6.0 |
64.61 | 84 | 120 | 94 | |
| 58 | 3.0 < erogenic < 7.0 | O% < 2.5 et nR05 = 1.0 ou 23.831 < Sv < 25.563 et 1.114 < Mi < 1.138 |
64.28 | 9 | 11 | 12 | |
| 59 | green < 1.0 et coniferous < 0.0 et fruity < 4.0 et honey < 1.0 |
2.0 < nCb- ou 1.0 < nCconj < 4.0 ou 1.0 < nOHp et nCs < 3.0 |
63.07 | 82 | 105 | 107 | |
| 60 | 2.0 < fruity ou sweet < 0.0 et aldehyde < 0.0 et medicinal < 0.0 |
130.16 < MW < 256.43 et 1.0 < nRCOOR et MLOGP < 3.751 |
62.72 | 69 | 102 | 77 | |
| 61 | 4.0 < green < 5.0 et 3.0 < watery |
1.0 < nROH et 1.925 < MLOGP < 2.129 ou Hy = -0.864 et 19.745 < Se |
62.5 | 5 | 5 | 8 | |
| 62 | vegetable = 5.0 et 2.0 < sweet |
22.073 < Se < 24.513 ou nDB = 2.0 et 1.0 < nR=Cp et MLOGP < 2.573 |
62.5 | 5 | 6 | 7 | |
| 63 | medicinal < 5.0 et animal < 5.0 et spicy < 0.0 |
nCIC < 0.0 ou 1.0 < nR=Cp et nCb- < 1.0 ou 15.117 < Sv |
62.43 | 128 | 144 | 189 | |
| 64 | watery < 1.0 et animal < 0.0 et 1.0 < balsamic |
8.0 < nCsp2 < 15.0 ou 1.0 < nR07 et 17.07 < TPSA(Tot) < 37.3 ou 0.922 < MLOGP < 1.312 |
61.22 | 30 | 36 | 43 | |
| 65 | 5.0 < animal | nAB = 10.0 et 3.17 < Uc < 3.585 |
60.0 | 3 | 5 | 3 | |
| 66 | 5.0 < animal | 8.0 < nBM < 11.0 et nAB = 10.0 |
60.0 | 3 | 5 | 3 | |
| 67 | 3.0 < animal < 5.0 et 1.0 < erogenic |
ARR < 0.3 et 1.0 < nArCO |
60.0 | 3 | 5 | 3 | |
| 68 | citrusy = 2.0 et floral = 3.0 |
19.224 < Sv < 20.036 ou nR=Ct = 1.0 et 2.4 < O% < 2.6 |
60.0 | 3 | 4 | 4 | |
| 69 | 5.0 < green ou 3.0 < medicinal ou 1.0 < aromatic ou dusty = 4.0 |
MLOGP < 2.851 et SAtot < 277.185 |
59.86 | 88 | 139 | 96 | |
| 70 | 3.0 < watery < 6.0 ou 2.0 < fruity et aldehyde < 0.0 et medicinal < 0.0 |
130.16 < MW < 256.43 et nRCOOR = 1.0 et MLOGP < 3.751 |
59.25 | 64 | 97 | 75 | |
| 71 | sourish = 1.0 ou 2.0 < fruity et aldehyde < 1.0 et medicinal < 0.0 |
19.4 < Se et 40.0 < H% < 62.9 et nR07 < 0.0 et 1.0 < nRCOOR |
59.16 | 71 | 111 | 80 | |
| 72 | green < 4.0 et honey < 1.0 et sweet < 3.0 et 1.0 < woody |
33.3 < C% < 40.9 ou 1.0 < nR04 et 51.6 < H% < 62.5 et 2.289 < MLOGP |
59.16 | 71 | 86 | 105 | |
| 73 | 2.0 < metallic et 1.0 < medicinal et fruity < 0.0 et buttery < 0.0 |
1.0 < nArOH et 1.859 < MLOGP < 3.386 |
58.82 | 10 | 14 | 13 | |
| 74 | metallic = 2.0 ou 2.0 < fruity et aldehyde < 0.0 et earthy < 1.0 |
14.189 < Se < 45.352 et H% < 62.9 et 1.0 < nRCOOR |
58.62 | 68 | 99 | 85 | |
| 75 | floral = 7.0 ou 1.0 < aromatic < 8.0 et fresh < 3.0 et woody < 1.0 |
Mi < 1.127 et 4.0 < O% et 4.0 < nCbH < 5.0 |
57.28 | 59 | 85 | 77 | |
| 76 | 3.0 < medicinal ou 1.0 < smoky < 2.0 et green < 1.0 et 2.0 < metallic |
1.0 < RBN < 4.0 et 1.0 < nArOH et 1.859 < MLOGP < 3.386 |
57.14 | 8 | 13 | 9 | |
| 77 | 1.0 < metallic < 2.0 et 4.0 < vegetable < 6.0 et animal < 0.0 et woody < 1.0 |
10.0 < nH < 18.0 et nCb- < 2.0 et 1.0 < nR=Cp |
57.14 | 8 | 13 | 9 | |
| 78 | minty = 2.0 ou 5.0 < anisic et 1.0 < floral < 3.0 |
13.778 < Sv < 14.064 et 2.0 < nCb- |
54.54 | 6 | 8 | 9 | |
| 79 | 4.0 < dusty et earthy = 4.0 |
2.0 < nCrt et 1.0 < nHDon ou nCrs = 4.0 et 2.4 < O% < 4.4 |
54.54 | 6 | 7 | 10 | |
| 80 | vegetable < 4.0 et aromatic < 2.0 et 3.0 < dusty et 2.0 < woody |
35.6 < C% < 39.3 ou 3.4 < N% < 5.0 et 16.456 < Sv < 25.805 et RBN < 4.0 |
54.54 | 18 | 23 | 28 | |
| 81 | lavender = 1.0 ou 1.0 < woody et green < 4.0 et sweet < 3.0 |
1.125 < Mi < 1.145 et 1.0 < nCt et 2.319 < MLOGP |
53.63 | 59 | 93 | 76 | |
| 82 | 2.0 < fatty ou 8.0 < aldehyde et 2.0 < green et floral < 4.0 |
5.0 < nCs < 8.0 et nCrs < 0.0 et 2.573 < MLOGP < 4.165 |
52.0 | 13 | 21 | 17 | |
| 83 | 2.0 < fatty ou 8.0 < aldehyde et 2.0 < green et floral < 4.0 |
nCIC < 0.0 et 5.0 < nCs < 8.0 et 2.573 < MLOGP |
52.0 | 13 | 21 | 17 | |
| 84 | honey < 0.0 et buttery = 1.0 et animal < 0.0 et 1.0 < powdery < 6.0 |
nO = 3.0 et nCconj < 0.0 ou 358.224 < SAtot < 371.131 et 1.112 < Mi < 1.14 |
50.0 | 14 | 19 | 23 | |
| 85 | sourish = 4.0 ou aromatic < 0.0 ou 2.0 < balsamic et green < 2.0 |
30.3 < C% et 3.17 < MLOGP |
48.73 | 77 | 146 | 89 | |
| 86 | fresh < 4.0 et tart < 0.0 et fatty < 2.0 et lavender < 0.0 |
nAB = 12.0 ou 2.17 < Ui ou 29.46 < TPSA(Tot) < 38.69 et 1.0 < nO |
47.58 | 59 | 67 | 116 | |
| 87 | fresh < 4.0 et tart < 0.0 et fatty < 2.0 et lavender < 0.0 |
nAB = 12.0 ou 2.17 < Ui ou 29.46 < TPSA(Tot) < 38.69 et 2.1 < O% |
47.58 | 59 | 67 | 116 | |
| 88 | 6.0 < fresh ou 2.0 < woody < 6.0 et 2.0 < watery < 3.0 et 1.0 < earthy < 3.0 |
58.8 < H% < 61.5 et 3.0 < nCp < 5.0 et 1.0 < nCrs < 3.0 et 1.0 < nCrt < 2.0 |
47.36 | 9 | 19 | 9 | |
| 89 | 3.0 < watery < 5.0 et minty < 0.0 et aromatic < 0.0 et powdery < 2.0 |
5.0 < RBN < 12.0 ou nR=Cs = 2.0 et nBM < 2.0 et 2.129 < MLOGP < 4.44 |
45.28 | 24 | 31 | 46 | |
| 90 | sourish < 4.0 et 1.0 < aromatic < 2.0 et earthy < 3.0 et woody < 2.0 |
1.0 < nCsp3 < 5.0 ou 1.0 < nR=Cp et nR=Cs < 0.0 et 17.07 < TPSA(Tot) |
45.26 | 43 | 53 | 85 | |
| 91 | 1.0 < buttery | 166.29 < MW < 258.44 ou 1.0 < nRCOOH et 2.5 < O% et 17.07 < TPSA(Tot) < 43.37 |
44.53 | 57 | 75 | 110 | |
| 92 | sourish < 2.0 et 1.0 < anisic < 4.0 et dusty < 1.0 |
10.5 < O% < 12.5 ou 1.0 < nArCOOR et nBM < 7.0 et -0.807 < Hy < -0.291 |
43.75 | 7 | 10 | 13 | |
| 93 | sourish < 2.0 et 1.0 < anisic < 4.0 et dusty < 1.0 |
10.5 < O% < 12.5 ou 1.0 < nArCOOR et nCsp2 < 7.0 et -0.807 < Hy < -0.291 |
43.75 | 7 | 10 | 13 | |
| 94 | 3.0 < aromatic < 5.0 | 1.0 < nROH ou 0.936 < MLOGP < 2.754 et 16.862 < Se < 25.284 ou 48.3 < H% < 48.6 |
43.58 | 34 | 43 | 69 | |
| 95 | watery = 2.0 et minty = 1.0 et 1.0 < medicinal |
14.214 < Sv < 14.402 et nCt = 1.0 |
42.85 | 3 | 4 | 6 | |
| 96 | fresh < 0.0 ou spicy = 2.0 et metallic < 1.0 et 4.0 < powdery < 7.0 |
1.0 < nDB et 2.0 < nCsp2 et nCIC = 2.0 et 12.03 < TPSA(Tot) |
38.88 | 14 | 23 | 27 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| nCrq | number of ring quaternary C(sp3) | Functional group counts | Basic descriptors | |
| nCsp2 | number of sp2 hybridized Carbon atoms | Constitutional indices | Basic descriptors | |
| nROR | number of ethers (aliphatic) | Functional group counts | Basic descriptors | |
| nRCOOR | number of esters (aliphatic) | Functional group counts | Basic descriptors | |
| SAtot | total surface area from P_VSA-like descriptors | Molecular properties | Basic descriptors | |
| H% | percentage of H atoms | Constitutional indices | Basic descriptors | |
| nROH | number of hydroxyl groups | Functional group counts | Basic descriptors | |
| nRCOOH | number of carboxylic acids (aliphatic) | Functional group counts | Basic descriptors | |
| RBN | number of rotatable bonds | Constitutional indices | Basic descriptors | |
| N% | percentage of N atoms | Constitutional indices | Basic descriptors | |
| Ui | unsaturation index | Molecular properties | Basic descriptors | |
| nAT | number of atoms | Constitutional indices | Basic descriptors | |
| nCt | number of total tertiary C(sp3) | Functional group counts | Basic descriptors | |
| nCs | number of total secondary C(sp3) | Functional group counts | Basic descriptors | |
| TPSA(Tot) | topological polar surface area using N,O,S,P polar contributions | Molecular properties | Basic descriptors | |
| nHDon | number of donor atoms for H-bonds (N and O) | Functional group counts | Basic descriptors | |
| nCconj | number of non-aromatic conjugated C(sp2) | Functional group counts | Basic descriptors | |
| nCq | number of total quaternary C(sp3) | Functional group counts | Basic descriptors | |
| Uc | unsaturation count | Molecular properties | Basic descriptors | |
| nCp | number of terminal primary C(sp3) | Functional group counts | Basic descriptors | |
| Hy | hydrophilic factor | Molecular properties | Basic descriptors | |
| nO | number of Oxygen atoms | Constitutional indices | Basic descriptors | |
| nN | number of Nitrogen atoms | Constitutional indices | Basic descriptors | |
| nOHt | number of tertiary alcohols | Functional group counts | Basic descriptors | |
| nOHs | number of secondary alcohols | Functional group counts | Basic descriptors | |
| nArCOOR | number of esters (aromatic) | Functional group counts | Basic descriptors | |
| nOHp | number of primary alcohols | Functional group counts | Basic descriptors | |
| nH | number of Hydrogen atoms | Constitutional indices | Basic descriptors | |
| nAB | number of aromatic bonds | Constitutional indices | Basic descriptors | |
| nDB | number of double bonds | Constitutional indices | Basic descriptors | |
| nSK | number of non-H atoms | Constitutional indices | Basic descriptors | |
| nC | number of Carbon atoms | Constitutional indices | Basic descriptors | |
| nR=Ct | number of aliphatic tertiary C(sp2) | Functional group counts | Basic descriptors | |
| nR=Cs | number of aliphatic secondary C(sp2) | Functional group counts | Basic descriptors | |
| nR07 | number of 7-membered rings | Ring descriptors | Basic descriptors | |
| nR06 | number of 6-membered rings | Ring descriptors | Basic descriptors | |
| nR05 | number of 5-membered rings | Ring descriptors | Basic descriptors | |
| nArNO2 | number of nitro groups (aromatic) | Functional group counts | Basic descriptors | |
| nR04 | number of 4-membered rings | Ring descriptors | Basic descriptors | |
| nR=Cp | number of terminal primary C(sp2) | Functional group counts | Basic descriptors | |
| nRCHO | number of aldehydes (aliphatic) | Functional group counts | Basic descriptors | |
| nCar | number of aromatic C(sp2) | Functional group counts | Basic descriptors | |
| nHAcc | number of acceptor atoms for H-bonds (N,O,F) | Functional group counts | Basic descriptors | |
| nCbH | number of unsubstituted benzene C(sp2) | Functional group counts | Basic descriptors | |
| Sv | sum of atomic van der Waals volumes (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
| nArCO | number of ketones (aromatic) | Functional group counts | Basic descriptors | |
| nArCHO | number of aldehydes (aromatic) | Functional group counts | Basic descriptors | |
| nPyridines | number of Pyridines | Functional group counts | Basic descriptors | |
| nArOR | number of ethers (aromatic) | Functional group counts | Basic descriptors | |
| C% | percentage of C atoms | Constitutional indices | Basic descriptors | |
| Mi | mean first ionization potential (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
| O% | percentage of O atoms | Constitutional indices | Basic descriptors | |
| nArOH | number of aromatic hydroxyls | Functional group counts | Basic descriptors | |
| nBT | number of bonds | Constitutional indices | Basic descriptors | |
| Se | sum of atomic Sanderson electronegativities (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
| ARR | aromatic ratio | Ring descriptors | Basic descriptors | |
| nCIC | number of rings (cyclomatic number) | Ring descriptors | Basic descriptors | |
| nBM | number of multiple bonds | Constitutional indices | Basic descriptors | |
| nCb- | number of substituted benzene C(sp2) | Functional group counts | Basic descriptors | |
| MW | molecular weight | Constitutional indices | Basic descriptors | |
| MLOGP | Moriguchi octanol-water partition coeff. (logP) | Molecular properties | Basic descriptors | |
| nRCO | number of ketones (aliphatic) | Functional group counts | Basic descriptors | |
| nCrt | number of ring tertiary C(sp3) | Functional group counts | Basic descriptors | |
| nCrs | number of ring secondary C(sp3) | Functional group counts | Basic descriptors | |
| nCsp3 | number of sp3 hybridized Carbon atoms | Constitutional indices | Basic descriptors |