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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....
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6767540/ https://www.ncbi.nlm.nih.gov/pubmed/30945814 http://dx.doi.org/10.1002/minf.201800154 |