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ChEMBL-Likeness Score and Database GDBChEMBL
The generated database GDB17 enumerates 166.4 billion molecules up to 17 atoms of C, N, O, S and halogens following simple rules of chemical stability and synthetic feasibility. However, most molecules in GDB17 are too complex to be considered for chemical synthesis. To address this limitation, we r...
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| Veröffentlicht in: | Front Chem |
|---|---|
| Hauptverfasser: | , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Frontiers Media S.A.
2020
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7010641/ https://ncbi.nlm.nih.gov/pubmed/32117874 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2020.00046 |
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