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. 2025 Jul 1;15:22214. doi: 10.1038/s41598-025-05976-0

Table 3.

Results for Computing Chemical Isomers Inline graphic of Inline graphic.

i Inline graphic Inline graphic Inline graphic Inline graphic, Inline graphic Inline graphic D-time Inline graphic Inline graphicD G-LB G-time Inline graphic #non-isoInline graphic G-time38 Inline graphic38
Inline graphic 40 3 9, 1, 3 6, 8 32, 1, 3 0.002 429, 803 2 Inline graphic 0.180 Inline graphic Inline graphic 30.964 Inline graphic
Inline graphic 50 3 9, 9, 8 5, 7 22, 2, 9 24.600 Inline graphic, 7 Inline graphic 0.195 Inline graphic Inline graphic 43.575 Inline graphic
Inline graphic
Inline graphic 50 3 10, 0, 2 10, 13 25, 0, 1 0.000 134, 184 5 6912 0.153 6912 6912 32.978 Inline graphic
Inline graphic 50 3 7, 4, 8 5, 7 24, 4, 6 0.001 124, 165 7 4608 0.090 4608 3312 77.341 Inline graphic
Inline graphic 70 3 8, 4, 7 5, 7 42, 4, 6 0.004 303, 392 7 Inline graphic 0.266 Inline graphic 5428 46.476 Inline graphic