Skip to main content
. 2020 Apr 22;11(19):4922–4933. doi: 10.1039/d0sc00554a

Numbers of evolutionary generations and unique molecules sampled before locating pentacene, the global minimum in electron reorganisation energy. The total chemical space includes 68 064 molecules.

Run Number of generations Molecules sampled Proportion of chemical space sampled
1 9 642 0.94%
2 11 745 1.09%
3 9 672 0.99%
4 11 778 1.14%
5 15 1035 1.52%
6 8 572 0.84%
7 17 1110 1.63%
8 6 420 0.62%
9 7 513 0.75%
10 9 631 0.93%