Open Access
Table 1
Composition of the molecular pool.
| Database | Number of molecules | Reference |
|---|---|---|
| PubChem | 3 956 200 | Kim et al. (2021) |
| ZINC | 3 635 600 | Sterling & Irwin (2015) |
| GDB-17 | 18 000 | Ruddigkeit et al. (2012) |
| QM9 | 133 885 | Ramakrishnan et al. (2014) |
| PCBA | 437 929 | Wang et al. (2012) |
| TMC-1 | 87 | Lee et al. (2021) |
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