Skip to main content

Table 2 Distribution of the compounds in the training and independent validation sets into the different types of hydrocarbons

From: Random forests for feature selection in QSPR Models - an application for predicting standard enthalpy of formation of hydrocarbons

    Type of hydrocarbon Number of compounds in the training set Number of compounds in the independent validation set
Non-Cyclic 131 35
    - Alkanes 66 7
    - Alkenes 61 16
    - Alkynes 4 12
Cyclic 233 65
    - Aromatic 85 19
      - Polycyclic 62 15
    - Non-Aromatic 148 46
      - Polycyclic 67 25
Hydrocarbons - Total 364 100