Figures (4)  Tables (2)

    • Figure 1. 

      Comparison of measured and predicted YSI values.

    • Figure 2. 

      Averaged sensitivities of YSI of neat components and mixtures on different functional features.

    • Figure 3. 

      Averaged sensitivities of YSI of mixtures on functional features.

    • Figure 4. 

      Sensitivities of YSI on functional features over blending ratios of fuel classes.

    • Group Abbreviation Type
      –CH3 P Primary carbon (non-ring, saturated)
      –CH2– S Secondary carbon (non-ring, saturated)
      >CH– T Tertiary carbon (non-ring, saturated)
      >C< Q Quaternary carbon (non-ring, saturated)
      –CH2–(ring) Sr Secondary carbon (ring, saturated)
      >CH–(ring) Tr Tertiary carbon (ring, saturated)
      =CH–ring) Sr* Secondary carbon (ring, unsaturated)
      =C<(ring) Tr* Tertiary carbon (ring, unsaturated)

      Table 1. 

      Eight molecular groups initially considered as input features.

    • Model Correlation coefficient (R2) Mean deviation (MD) Mean
      relative error (MRE)      		 Root mean square error (RMSE) Mean absolute error (MAE)
      Linear[5] 0.9640 4.24 13.72% 5.41 4.24
      ANN[5] 0.8349 5.43 15.39% 8.30 7.15
      S-ANN[5] 0.9796 2.27 6.55% 3.12 2.22
      QSPR-ANN 0.9900 1.85 2.29% 2.67 2.01

      Table 2. 

      Prediction performance of the ANN model developed in the present work compared with literature models.