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Intercorrelation Limits in Molecular Descriptor Preselection for QSAR/QSPR
QSAR/QSPR (quantitative structure‐activity/property relationship) modeling has been a prevalent approach in various, overlapping sub‐fields of computational, medicinal and environmental chemistry for decades. The generation and selection of molecular descriptors is an essential part of this process....
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| Veröffentlicht in: | Mol Inform |
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| Hauptverfasser: | , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
John Wiley and Sons Inc.
2019
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6767540/ https://ncbi.nlm.nih.gov/pubmed/30945814 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/minf.201800154 |
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