Olfamining

Redescriptions

Score de l'analyse : Moyenne des score des redescriptions.

#	Qualités	Propriétés physico-chimiques	Score (en %)	Support	Support qualités	Support propriétés
1	~~Fruity~~	X% < 0.107 ou 257.55 < MWC03 < 264.94 ou 12.019 < piPC04 < 13.693 ou 1.687 < IC1 < 1.899 ou 0.682 < SM5_Dz(Z) < 0.786	72.63	1043	1119	1360
2	~~Floral~~	4.546 < IC5 < 5.315 ou 1.178 < VR1_X < 3.312 ou 0.163 < SM6_H2 < 0.185 ou 2.357 < VR1_D/Dt < 2.406 ou 1.459 < WiA_Dz(Z) < 1.971	69.22	994	1213	1217
3	Musk	0.208 < X2v < 0.975 et 7.823 < SpAD_D/Dt < 8.877 ou 130.0 < SRW02 < 130.545 ou 2.967 < SpMaxA_H2 < 2.984 et 5.815 < SIC3 < 12.964	55.55	30	52	32
4	Vanilin	19.403 < Mv < 19.516 ou 1.267 < VE2_X < 1.292 et 1.511 < IC3 < 3.461 ou VR3_X = 3.342 et 10.0 < D/Dtr11	54.54	18	26	25
5	~~Green~~	3.781 < IC3 et 0.415 < HyWi_Dt < 5.881 ou 0.458 < MPC06 < 0.746 ou 13.675 < IDET ou IVDE < 1.765	53.76	772	1332	876
6	Pineapple	1.711 < IC1 < 1.772 et 1.028 < VE2_X < 1.053 ou 3.743 < SpPos_H2 < 3.745 ou 1.943 < ChiA_Dt < 1.947 et 0.039 < SM3_Dt < 0.124	49.29	35	52	54
7	~~Herbaceous~~	95.971 < MWC01 ou HDcpx < 0.269 et SM5_Dt < 0.335 ou 12.0 < ZM1MulPer < 14.0 ou 0.635 < S0K	48.29	693	1333	795
8	~~Herbaceous~~	95.971 < MWC01 ou 0.635 < S0K ou HDcpx < 0.269 et SM5_Dt < 0.335 ou 12.0 < ZM1MulPer < 14.0	48.29	693	1333	795
9	Piney	3.1 < D/Dtr11 et 1.372 < IC1 < 1.846 et 1.792 < SpPos_Dz(Z) < 1.924 ou Wi_D = 6.845 et 1.099 < SM3_L < 4.094	47.36	18	29	27
10	Waxy	0.209 < EE_Dt < 0.211 ou 0.105 < SM5_Dt < 0.126 et 0.226 < HDcpx < 0.25 ou 7.902 < X0A < 7.922 et 1.813 < TIC5 < 2.262	42.85	36	63	57
11	Camphor	1.333 < Dz < 1.667 et 4.453 < H_Dt < 6.994 ou 48.0 < MWC01 < 48.104 ou 85.007 < MWC05 < 85.163 ou 1.343 < SM5_Dz(Z) < 1.531	42.69	38	66	61
12	Sour	2.132 < IC1 < 3.046 ou 2.899 < BIC1 < 2.91 et 78.79 < SRW06 < 152.92 et 5.796 < Chi_D < 7.241 et 0.13 < VR1_X < 0.483	41.46	17	25	33
13	Ethereal	0.5 < IC1 < 2.324 et SpPos_X < 1.609 et VR1_X < 0.446 et ChiA_Dt < 1.216 ou 0.863 < VE2_D/Dt < 0.918	41.17	84	144	144
14	Minty	7.669 < VE2_D < 7.682 ou 5.016 < VE3_Dt < 5.109 et 7.899 < SIC1 < 11.002 ou 90.465 < SRW02 < 90.636 ou IDDE = 2.297	40.65	37	71	57
15	Buterry	172.75 < MWC03 < 174.75 ou 4.816 < BIC1 < 4.835 ou Chi_D/Dt < 0.667 et 1.747 < IC1 < 2.324 et 10.938 < IC5 < 20.747	38.63	17	28	33
16	Gassy	D/Dtr09 < 4.2 et 0.983 < IC5 < 2.889 ou 0.925 < IC1 < 0.943 et 2.638 < SIC3 < 7.171 ou 0.91 < IVDE < 0.942	36.36	24	47	43
17	Woody	0.569 < S0K < 0.655 et 0.484 < IC1 < 1.992 et 1.099 < SpPosLog_X < 5.557 ou 64.997 < SRW04 < 65.322 ou 1.65 < SpPos_Dz(Z) < 1.7	36.22	138	223	296
18	Citrus	0.241 < EE_Dt < 0.247 ou 46.85 < SpPosLog_D/Dt < 47.528 et 1.683 < TIC5 < 2.208 ou BIC1 = 5.982 ou 6.772 < VE2_D < 6.774	36.08	35	78	54
19	Rose	1.479 < X2v < 2.245 et 0.147 < VE2_H2 < 0.179 ou 2.403 < IC3 < 2.645 ou 3.779 < H_Dz(Z) < 3.783 et 1.893 < TIC5 < 2.417	35.84	95	176	184
20	Caramelic	14.778 < Sp < 14.923 ou ON0V = 5.0 ou X4Av = 8.0 et 2.511 < VR2_Dz(Z) ou MWC09 = 220.0	35.71	30	55	59
21	Oily	8.515 < IVDE ou 6.447 < VE2_D < 6.6 et 0.101 < SM3_Dt < 0.203 ou 1.151 < CID < 1.155 ou 0.641 < VR1_X < 0.701	35.67	132	232	270
22	Anisic	0.479 < IC3 < 1.967 et 1.166 < VR1_X < 2.367 ou 3.994 < WiA_Dt < 4.009 et 49.867 < MWC01 < 67.307 et 118.659 < MWC05 < 178.941	35.41	17	30	35
23	Medicinal	0.333 < HDcpx < 0.352 ou 4.447 < SpPos_X < 4.46 ou 2.703 < VR2_Dz(Z) < 2.707 et 3.761 < Chi_X < 4.355 et 1.574 < VE1_Dz(Z) < 1.945	35.0	21	41	40
24	Phenolic	0.5 < S2K < 0.75 et 1.702 < IC3 < 3.391 et 0.816 < SpAD_A < 1.461 et 0.454 < SM2_H2 < 0.483 et 0.312 < SM4_H2	34.69	17	24	42
25	Animal	3.7 < D/Dtr09 < 8.3 et X2v < 0.786 ou 13.075 < SIC1 < 13.33 et 20.0 < nAT < 52.0 ou 0.523 < X0sol < 0.65	34.24	25	51	47
26	Fatty	0.221 < HDcpx < 0.224 ou 0.093 < SM5_Dt < 0.128 et 1.535 < piPC06 < 1.733 ou 13.75 < X0v < 16.792 et 0.598 < SpMax_Dt < 0.713	33.95	55	113	104
27	Apple	30.4 < D/Dtr07 < 31.4 et 1.48 < IC1 < 1.757 et 0.048 < SM5_Dt < 0.077 ou 30.651 < SRW04 < 31.651 ou 0.691 < SM3_Dz(Z) < 0.696	33.73	28	56	55
28	Tobacco	X4 < 2.944 et 0.295 < SM4_H2 < 0.336 ou 86.668 < SpPosLog_D/Dt < 87.209 et 1.0 < nCsp2 < 3.0 et 8.092 < IC5 < 15.164	33.33	17	33	35
29	Balsamic	8.0 < ZM1MulPer ou 27.134 < TIC1 < 28.298 et 2.236 < piPC02 < 3.674 et 29.5 < TIC3 ou 106.0 < BAC < 106.15	33.18	75	152	149
30	Orange	8.769 < IDDE < 10.716 ou SM4_H2 = 0.395 ou J_D/Dt = 39.192 et Rbrid < 25.0 et 2.7 < D/Dtr11 < 4.5	32.69	17	32	37
31	Honey	3.841 < SpPos_X < 3.862 ou 4.15 < SpMaxA_X < 4.706 et 9.507 < IC5 < 15.272 et 0.099 < VR1_H2 < 0.106 ou 14.958 < Chi_H2 < 15.079	32.46	25	56	46
32	Hyacinth	4.219 < J_X < 4.394 et Ho_X < 3.976 et 0.034 < SM5_Dt < 0.045 ou 6.743 < SpPos_H2 < 6.805 et 0.27 < HDcpx < 0.322	31.14	19	31	49
33	Banana	1.315 < BIC3 < 1.323 ou 0.252 < SM6_H2 < 0.26 et 125.471 < BAC < 153.471 et 0.171 < VE2_H2 et 0.065 < SM3_Dt < 0.124	30.9	17	30	42
34	Jasmin	20.248 < IC5 < 21.434 ou 0.143 < VE2_H2 < 0.151 et 2.649 < VR1_D/Dt < 3.078 ou 0.169 < Vindex < 0.17 et 1.252 < HyWi_Dt < 2.53	30.35	17	29	44
35	Spicy	3.081 < X4 < 3.733 ou 4.863 < J_X < 4.934 et 37.0 < D/Dtr07 < 52.9 et 1.589 < IC3 < 3.482 ou 36.577 < Psi_i_1 < 48.65	28.2	55	133	117
36	Winey	6.375 < IDET < 6.636 ou 0.357 < SM4_H2 < 0.373 et 3.622 < IC3 < 4.418 ou 18.5 < D/Dtr11 < 21.4 et 1.922 < WiA_Dz(Z) < 3.547	28.14	56	114	141
37	Leafy	0.234 < SpMAD_Dt < 0.286 et 0.889 < SM5_Dz(Z) < 0.936 ou ZM2V = 2.0 ou 144.258 < SRW08 < 145.126 et 0.958 < CID < 1.321	27.77	30	64	74
38	Nut	0.965 < MPC06 < 0.972 ou 2.264 < AVS_D/Dt < 2.611 ou 2.112 < VR2_Dz(Z) < 2.117 et 1.42 < IC1 < 1.707 ou 36.541 < J_D/Dt < 36.627	25.88	22	47	60
39	Berry	1.245 < CID < 1.343 ou 59.807 < SpPosLog_D/Dt < 60.907 et 117.258 < MWC05 < 178.786 et 0.652 < HyWi_Dt < 1.284 et 1.241 < SpPos_Dz(Z) < 1.539	22.36	17	44	49
40	Earthy	44.8 < D/Dtr07 < 46.9 ou 1.367 < IC1 < 1.675 et IC3 < 3.368 et 0.184 < SpMAD_Dt < 0.295 ou 4.112 < SM2_D/Dt < 4.14	22.29	33	83	98
41	Ambre	48.792 < Psi_i_1d < 86.601 ou 6.246 < SpMaxA_D/Dt < 7.541 et 2.25 < WiA_Dz(Z) < 3.617 ou 54.753 < X2 < 54.958 et 0.254 < HDcpx < 0.397	22.09	19	37	68
42	Tarry	0.025 < X% < 0.032 ou 0.545 < S2K et N% < 1.0 et PW5 < 14.015 et -0.024 < CIC1 < 0.13	18.68	17	22	86
43	Apricot	1.684 < IC1 < 1.822 et 0.978 < SpPos_Dz(Z) < 1.384 ou VE2_X = 1.033 et 0.107 < X% < 0.256 et Ho_X < 3.841	17.17	17	28	88
44	Apricot	1.684 < IC1 < 1.822 et Ho_X < 3.841 et 0.978 < SpPos_Dz(Z) < 1.384 ou VE2_X = 1.033 et 0.107 < X% < 0.256	17.17	17	28	88

#	Qualités	Propriétés physico-chimiques	Score (en %)	Support	Support qualités	Support propriétés

Molécules du support qualités

#	Nom	Formule

Molécules du support propriétés

#	Nom	Formule

Distributions des propriétés physico-chimiques

Qualités

Herbaceou Apricot Banana Gree Balsamic Leafy Honey Apple Waxy Woody Medicinal Jasmin Fatty Flora Rose Citrus Tarry Minty Anisic Vanilin Piney Pineapple Orange Gassy Musk Ethereal Winey Ambre Tobacco Animal Buterry Earthy Spicy Phenolic Hyacinth Fruit Nut Oily Caramelic Berry Sour Camphor

Propriétés physico-chimiques

Code	Description	Catégorie	Sous-catégorie
Chi_D	Randic-like index from topological distance matrix	2D matrix-based descriptors	Topological distance matrix (D)
BAC	Balaban centric index	Topological indices	Centric indices
SpMax_Dt	leading eigenvalue from detour matrix	2D matrix-based descriptors	Detour matrix (Dt)
SpPos_X	spectral positive sum from chi matrix	2D matrix-based descriptors	Chi matrix (X)
PW5	path/walk 5 - Randic shape index	Topological indices	Path/walk indices
VE3_Dt	logarithmic coefficient sum of the last eigenvector from detour matrix	2D matrix-based descriptors	Detour matrix (Dt)
X0A	average connectivity index of order 0	Connectivity indices	Kier-Hall molecular connectivity indices
SM3_Dt	spectral moment of order 3 from detour matrix	2D matrix-based descriptors	Detour matrix (Dt)
IDET	total information content on the distance equality	Information indices	Basic descriptors
N%	percentage of N atoms	Constitutional indices	Basic descriptors
VE2_X	average coefficient of the last eigenvector from chi matrix	2D matrix-based descriptors	Chi matrix (X)
SM5_Dt	spectral moment of order 5 from detour matrix	2D matrix-based descriptors	Detour matrix (Dt)
EE_Dt	Estrada-like index (log function) from detour matrix	2D matrix-based descriptors	Detour matrix (Dt)
Wi_D	Wiener-like index from topological distance matrix (Wiener index)	2D matrix-based descriptors	Topological distance matrix (D)
S0K	Kier symmetry index	Information indices	Basic descriptors
H_Dz(Z)	Harary-like index from Barysz matrix weighted by atomic number	2D matrix-based descriptors	Barysz matrix weighted by atomic number (Dz(Z))
VE2_D	average coefficient of the last eigenvector from topological distance matrix	2D matrix-based descriptors	Topological distance matrix (D)
H_Dt	Harary-like index from detour matrix	2D matrix-based descriptors	Detour matrix (Dt)
J_D/Dt	Balaban-like index from distance/detour matrix	2D matrix-based descriptors	Distance / detour matrix (D/Dt)
WiA_Dz(Z)	average Wiener-like index from Barysz matrix weighted by atomic number	2D matrix-based descriptors	Barysz matrix weighted by atomic number (Dz(Z))
VR1_H2	Randic-like eigenvector-based index from reciprocal squared distance matrix	2D matrix-based descriptors	Reciprocal squared distance matrix (H2)
BIC3	Bond Information Content index (neighborhood symmetry of 3-order)	Information indices	Indices of neighborhood symmetry
HDcpx	graph distance complexity index (log function)	Information indices	Basic descriptors
BIC1	Bond Information Content index (neighborhood symmetry of 1-order)	Information indices	Indices of neighborhood symmetry
Vindex	Balaban V index	Information indices	Basic descriptors
SpPosLog_X	logarithmic spectral positive sum from chi matrix	2D matrix-based descriptors	Chi matrix (X)
Dz	Pogliani index	Topological indices	Vertex degree-based indices
CIC1	Complementary Information Content index (neighborhood symmetry of 1-order)	Information indices	Indices of neighborhood symmetry
VE2_D/Dt	average coefficient of the last eigenvector from distance/detour matrix	2D matrix-based descriptors	Distance / detour matrix (D/Dt)
ZM2V	second Zagreb index by valence vertex degrees	Topological indices	Vertex degree-based indices
ON0V	overall modified Zagreb index of order 0 by valence vertex degrees	Topological indices	Vertex degree-based indices
IDDE	mean information content on the distance degree equality	Information indices	Basic descriptors
Psi_i_1	intrinsic state pseudoconnectivity index - type 1	Topological indices	E-state indices
MPC06	molecular path count of order 6	Walk and path counts	Path counts
SpPos_H2	spectral positive sum from reciprocal squared distance matrix	2D matrix-based descriptors	Reciprocal squared distance matrix (H2)
X4	connectivity index of order 4	Connectivity indices	Kier-Hall molecular connectivity indices
X2	connectivity index of order 2	Connectivity indices	Kier-Hall molecular connectivity indices
VR3_X	logarithmic Randic-like eigenvector-based index from chi matrix	2D matrix-based descriptors	Chi matrix (X)
X0sol	solvation connectivity index of order 0	Connectivity indices	Solvation connectivity indices
X4Av	average valence connectivity index of order 4	Connectivity indices	Kier-Hall molecular connectivity indices
X2v	valence connectivity index of order 2	Connectivity indices	Kier-Hall molecular connectivity indices
ChiA_Dt	average Randic-like index from detour matrix	2D matrix-based descriptors	Detour matrix (Dt)
Ho_X	Hosoya-like index (log function) from chi matrix	2D matrix-based descriptors	Chi matrix (X)
VR1_X	Randic-like eigenvector-based index from chi matrix	2D matrix-based descriptors	Chi matrix (X)
X%	percentage of halogen atoms	Constitutional indices	Basic descriptors
SM5_Dz(Z)	spectral moment of order 5 from Barysz matrix weighted by atomic number	2D matrix-based descriptors	Barysz matrix weighted by atomic number (Dz(Z))
nAT	number of atoms	Constitutional indices	Basic descriptors
IC5	Information Content index (neighborhood symmetry of 5-order)	Information indices	Indices of neighborhood symmetry
IC3	Information Content index (neighborhood symmetry of 3-order)	Information indices	Indices of neighborhood symmetry
MWC09	molecular walk count of order 9	Walk and path counts	Walk counts
IC1	Information Content index (neighborhood symmetry of 1-order)	Information indices	Indices of neighborhood symmetry
MWC05	molecular walk count of order 5	Walk and path counts	Walk counts
piPC06	molecular multiple path count of order 6	Walk and path counts	Multiple path counts
MWC03	molecular walk count of order 3	Walk and path counts	Walk counts
piPC04	molecular multiple path count of order 4	Walk and path counts	Multiple path counts
MWC01	molecular walk count of order 1	Walk and path counts	Walk counts
SpAD_A	spectral absolute deviation from adjacency matrix	2D matrix-based descriptors	Adjacency matrix (A)
Psi_i_1d	intrinsic state pseudoconnectivity index - type 1d	Topological indices	E-state indices
SM2_D/Dt	spectral moment of order 2 from distance/detour matrix	2D matrix-based descriptors	Distance / detour matrix (D/Dt)
piPC02	molecular multiple path count of order 2	Walk and path counts	Multiple path counts
ZM1MulPer	first Zagreb index by multiplicative perturbation vertex degrees	Topological indices	Vertex degree-based indices
SRW08	self-returning walk count of order 8	Walk and path counts	Self-returning walk counts
D/Dtr11	distance/detour ring index of order 11	Ring descriptors	Basic descriptors
SpMaxA_H2	normalized leading eigenvalue from reciprocal squared distance matrix	2D matrix-based descriptors	Reciprocal squared distance matrix (H2)
CID	Randic ID number	Walk and path counts	ID numbers
AVS_D/Dt	average vertex sum from distance/detour matrix	2D matrix-based descriptors	Distance / detour matrix (D/Dt)
SRW06	self-returning walk count of order 6	Walk and path counts	Self-returning walk counts
SpMAD_Dt	spectral mean absolute deviation from detour matrix	2D matrix-based descriptors	Detour matrix (Dt)
SRW04	self-returning walk count of order 4	Walk and path counts	Self-returning walk counts
SRW02	self-returning walk count of order 2	Walk and path counts	Self-returning walk counts
HyWi_Dt	hyper-Wiener-like index (log function) from detour matrix	2D matrix-based descriptors	Detour matrix (Dt)
Chi_H2	Randic-like index from reciprocal squared distance matrix	2D matrix-based descriptors	Reciprocal squared distance matrix (H2)
SpMaxA_X	normalized leading eigenvalue from chi matrix	2D matrix-based descriptors	Chi matrix (X)
VR2_Dz(Z)	normalized Randic-like eigenvector-based index from Barysz matrix weighted by atomic number	2D matrix-based descriptors	Barysz matrix weighted by atomic number (Dz(Z))
SIC3	Structural Information Content index (neighborhood symmetry of 3-order)	Information indices	Indices of neighborhood symmetry
SIC1	Structural Information Content index (neighborhood symmetry of 1-order)	Information indices	Indices of neighborhood symmetry
TIC5	Total Information Content index (neighborhood symmetry of 5-order)	Information indices	Indices of neighborhood symmetry
TIC3	Total Information Content index (neighborhood symmetry of 3-order)	Information indices	Indices of neighborhood symmetry
VE2_H2	average coefficient of the last eigenvector from reciprocal squared distance matrix	2D matrix-based descriptors	Reciprocal squared distance matrix (H2)
TIC1	Total Information Content index (neighborhood symmetry of 1-order)	Information indices	Indices of neighborhood symmetry
SpPosLog_D/Dt	logarithmic spectral positive sum from distance/detour matrix	2D matrix-based descriptors	Distance / detour matrix (D/Dt)
SM2_H2	spectral moment of order 2 from reciprocal squared distance matrix	2D matrix-based descriptors	Reciprocal squared distance matrix (H2)
J_X	Balaban-like index from chi matrix	2D matrix-based descriptors	Chi matrix (X)
SM3_Dz(Z)	spectral moment of order 3 from Barysz matrix weighted by atomic number	2D matrix-based descriptors	Barysz matrix weighted by atomic number (Dz(Z))
D/Dtr09	distance/detour ring index of order 9	Ring descriptors	Basic descriptors
IVDE	mean information content on the vertex degree equality	Information indices	Basic descriptors
D/Dtr07	distance/detour ring index of order 7	Ring descriptors	Basic descriptors
X0v	valence connectivity index of order 0	Connectivity indices	Kier-Hall molecular connectivity indices
WiA_Dt	average Wiener-like index from detour matrix	2D matrix-based descriptors	Detour matrix (Dt)
SM4_H2	spectral moment of order 4 from reciprocal squared distance matrix	2D matrix-based descriptors	Reciprocal squared distance matrix (H2)
VE1_Dz(Z)	coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number	2D matrix-based descriptors	Barysz matrix weighted by atomic number (Dz(Z))
Chi_D/Dt	Randic-like index from distance/detour matrix	2D matrix-based descriptors	Distance / detour matrix (D/Dt)
SpMaxA_D/Dt	normalized leading eigenvalue from distance/detour matrix	2D matrix-based descriptors	Distance / detour matrix (D/Dt)
Mv	mean atomic van der Waals volume (scaled on Carbon atom)	Constitutional indices	Basic descriptors
S2K	2-path Kier alpha-modified shape index	Topological indices	Path/walk indices
SM6_H2	spectral moment of order 6 from reciprocal squared distance matrix	2D matrix-based descriptors	Reciprocal squared distance matrix (H2)
VR1_D/Dt	Randic-like eigenvector-based index from distance/detour matrix	2D matrix-based descriptors	Distance / detour matrix (D/Dt)
Chi_X	Randic-like index from chi matrix	2D matrix-based descriptors	Chi matrix (X)
Sp	sum of atomic polarizabilities (scaled on Carbon atom)	Constitutional indices	Basic descriptors
SpPos_Dz(Z)	spectral positive sum from Barysz matrix weighted by atomic number	2D matrix-based descriptors	Barysz matrix weighted by atomic number (Dz(Z))
SM3_L	spectral moment of order 3 from Laplace matrix	2D matrix-based descriptors	Laplace matrix (L)
Rbrid	ring bridge count	Ring descriptors	Basic descriptors
nCsp2	number of sp2 hybridized Carbon atoms	Constitutional indices	Basic descriptors
SpAD_D/Dt	spectral absolute deviation from distance/detour matrix	2D matrix-based descriptors	Distance / detour matrix (D/Dt)

Code	Description	Catégorie	Sous-catégorie

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Score de l'analyse : Moyenne des score des redescriptions.

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Propriétés physico-chimiques

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