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. 2019 Feb 11;10(12):3567–3572. doi: 10.1039/c8sc05372c

Table 3. Number of occurrences of different ring-types in the first 1000 structures of the ZINC data set (“ZINC”), and in the 1000 structures generated by the GB-GM method using the ZINC probabilities (“GB-GM (62%)”) and a probability set where the probability of [*] Created by potrace 1.16, written by Peter Selinger 2001-2019 [*]–[*] type bonding is increased to 80% (“GB-GM (80%)”).

Ring-type ZINC GM (62%) GM (80%)
[*]1–[*]–[*]1 57 104 57
[*]1–[*]–[*]–[*]1 17 33 10
[*]1–[*]–[*]–[*]–[*]1 280 15 4
[*]1 Created by potrace 1.16, written by Peter Selinger 2001-2019 [*]–[*]–[*]–[*]1 120 396 408
[*]1 Created by potrace 1.16, written by Peter Selinger 2001-2019 [*]–[*] Created by potrace 1.16, written by Peter Selinger 2001-2019 [*]–[*]1 470 132 221
[*]1–[*]–[*]–[*]–[*]–[*]1 409 64 2
[*]1 Created by potrace 1.16, written by Peter Selinger 2001-2019 [*]–[*]–[*]–[*]–[*]1 77 363 104
[*]1 Created by potrace 1.16, written by Peter Selinger 2001-2019 [*]–[*] Created by potrace 1.16, written by Peter Selinger 2001-2019 [*]–[*]–[*]1 100 591 405
[*]1 Created by potrace 1.16, written by Peter Selinger 2001-2019 [*]–[*]–[*] Created by potrace 1.16, written by Peter Selinger 2001-2019 [*]–[*]1 7 321 202
[*]1 Created by potrace 1.16, written by Peter Selinger 2001-2019 [*]–[*] Created by potrace 1.16, written by Peter Selinger 2001-2019 [*]–[*] Created by potrace 1.16, written by Peter Selinger 2001-2019 [*]1 1206 479 850
7-Membered ring 24 0 0
8-Membered ring 1 0 0
Total 2768 2498 2263