Democratizing cheminformatics: interpretable chemical grouping using an automated KNIME workflow
Abstract With the increased availability of chemical data in public databases, innovative techniques and algorithms have emerged for the analysis, exploration, visualization, and extraction of information from these data. One such technique is chemical grouping, where chemicals with common character...
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| Główni autorzy: | , , , , , |
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| Format: | Artigo |
| Język: | Inglês |
| Wydane: |
BMC
2024-08-01
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| Seria: | Journal of Cheminformatics |
| Hasła przedmiotowe: | |
| Dostęp online: | https://doi.org/10.1186/s13321-024-00894-1 |
| Etykiety: |
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