In addition to the data sets and databases described above, this subsection introduces six more data sets and databases: C7O2H10-17,[10] ISO17, , VQM24, , QCDGE, QM-22, CheMFi , QM9S and the Ten-sorMol ChemSpider data set. Among them, the C7O2H10-17 data set comprises MD trajectories for 113 randomly selected isomers of C7O2H10. These trajectories were calculated at a temperature of 500 K with a high temporal resolution of 0.5 fs, using DFT with the PBE exchange-correlation potential. Notably, C7O2H10 represents the largest set of isomers within the QM9 data set. The identifiers used in this data set are consistent with those used in the QM9 isomer subset, ensuring compatibility and ease of reference.