Figure 7

Density plot showing the distribution and variation of the standard enthalpy of formation of gas phase at 298.15 K in the: a) training set, indicating the structure of the compounds with the most extreme values (maximum: 5,6,11,12-tetraphenylbenzo[b]anthracene and pentacyclo[4.2.0.0 ^2,5 .0 ^3,8 .0 ^4,7 ]octane; minimum: dotriacontane and 11-decylheneicosane); b) independent validation set, indicating the structure of the compounds with the most extreme values (maximum: (1Z,3Z,5Z,7Z,9Z,11Z)-octalene and cyclopenta[fg]acenaphthylene; minimum: hexadecylcyclohexane and eicosane).