“…For additional external validation coefficients and two parameters of Roy et al (Chirico and Gramatica, 2011;Roy et al, 2013;Roy and Mitra, 2011), threshold values are more than 0.5 (> 0.5) (Roy and Mitra, 2011) except ΔR 2 m and CCC, which are less than 0.2 (< 0.2) (Roy and Mitra, M a n u s c r i p t 18 2011) and more than 0.8 (> 0.8) (Gramatica et al, 2012), respectively. For additional internal and external validation with using QSARINS software (Gramatica et al, 2014;Gramatica et al, 2013 ), 230 and 58 energetic compounds with different chemical structures were randomly selected as training set (80%) and test (validation) set (20%), respectively.…”