Duarte, Mariene H.; Freitas, Matheus P.; Nunes, Cleiton - In: International Journal of Quantitative … 2 (2017) 1, pp. 35-43
, total double bonds, position of double bonds and geometric isomerism were used as descriptors to generate a Multiple Linear … Regression (MLR) model. The best model yielded an RMSE = 0.167 and R2 = 0.999 for the calibration set, and RMSE = 0.151 and R2 …