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Visual analytics in cheminformatics: user-supervised descriptor selection for QSAR methods
BACKGROUND: The design of QSAR/QSPR models is a challenging problem, where the selection of the most relevant descriptors constitutes a key step of the process. Several feature selection methods that address this step are concentrated on statistical associations among descriptors and target properti...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4540751/ https://www.ncbi.nlm.nih.gov/pubmed/26300983 http://dx.doi.org/10.1186/s13321-015-0092-4 |