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Towards interoperable and reproducible QSAR analyses: Exchange of datasets
BACKGROUND: QSAR is a widely used method to relate chemical structures to responses or properties based on experimental observations. Much effort has been made to evaluate and validate the statistical modeling in QSAR, but these analyses treat the dataset as fixed. An overlooked but highly important...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2010
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2909924/ https://www.ncbi.nlm.nih.gov/pubmed/20591161 http://dx.doi.org/10.1186/1758-2946-2-5 |