Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 08:06:25
  • Qualités :
  • Propriétés physico-chimiques :

Redescriptions

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

Comment lire les redescriptions

# Qualités Propriétés physico-chimiques Score (en %) Support Support qualités Support propriétés
1 vegetable < 1.0
et 7.0 < woody
1.133 < Mi < 1.134
et nH = 28.0
100.0 3 3 3
2 dusty < 3.0
et 7.0 < woody
1.133 < Mi < 1.134
et nH = 28.0
100.0 3 3 3
3 2.0 < coniferous < 3.0
et 3.0 < powdery
1.127 < Mi < 1.13
et 3.0 < nCIC
100.0 3 3 3
4 2.0 < coniferous < 3.0
et 3.0 < powdery
37.5 < C% < 38.6
et 3.0 < nCIC
100.0 3 3 3
5 medicinal < 0.0 12.0 < nSK < 21.0
ou nR06 < 0.0
et nArOH < 0.0
ou H% < 42.9
ou 1.0 < nRCHO
ou 212.821 < SAtot < 234.092
et nArOR < 1.0
ou 4.0 < RBN < 5.0
ou -0.164 < Hy
ou 35.01 < TPSA(Tot) < 37.3
et nArCOOR < 0.0
et nPyridines < 0.0
ou 18.547 < Sv < 20.832
91.38 191 196 204
6 aldehyde < 0.0
et 1.0 < erogenic
22.036 < Sv < 25.563
ou 1.0 < nRCO
et 32.6 < C% < 43.5
ou nBM = 10.0
et 1.0 < nCIC
et nR05 < 1.0
et nR=Cp < 0.0
ou 41.912 < Se < 43.698
77.14 27 30 32

Qualités

Aldehyde Medicinal Vegetable Powdery Woody Erogenic Dusty Coniferous

Propriétés physico-chimiques

Code Description Catégorie Sous-catégorie
nPyridines number of Pyridines Functional group counts Basic descriptors
C% percentage of C atoms Constitutional indices Basic descriptors
Se sum of atomic Sanderson electronegativities (scaled on Carbon atom) Constitutional indices Basic descriptors
RBN number of rotatable bonds Constitutional indices Basic descriptors
nR=Cp number of terminal primary C(sp2) Functional group counts Basic descriptors
nArCOOR number of esters (aromatic) Functional group counts Basic descriptors
SAtot total surface area from P_VSA-like descriptors Molecular properties Basic descriptors
nSK number of non-H atoms Constitutional indices Basic descriptors
nBM number of multiple bonds Constitutional indices Basic descriptors
H% percentage of H atoms Constitutional indices Basic descriptors
Sv sum of atomic van der Waals volumes (scaled on Carbon atom) Constitutional indices Basic descriptors
nArOR number of ethers (aromatic) Functional group counts Basic descriptors
nRCO number of ketones (aliphatic) Functional group counts Basic descriptors
nCIC number of rings (cyclomatic number) Ring descriptors Basic descriptors
nH number of Hydrogen atoms Constitutional indices Basic descriptors
Hy hydrophilic factor Molecular properties Basic descriptors
nR06 number of 6-membered rings Ring descriptors Basic descriptors
nR05 number of 5-membered rings Ring descriptors Basic descriptors
Mi mean first ionization potential (scaled on Carbon atom) Constitutional indices Basic descriptors
nArOH number of aromatic hydroxyls Functional group counts Basic descriptors
TPSA(Tot) topological polar surface area using N,O,S,P polar contributions Molecular properties Basic descriptors
nRCHO number of aldehydes (aliphatic) Functional group counts Basic descriptors

Visualisations