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Assessment of Prediction Confidence and Domain Extrapolation of Two Structure–Activity Relationship Models for Predicting Estrogen Receptor Binding Activity
Quantitative structure–activity relationship (QSAR) methods have been widely applied in drug discovery, lead optimization, toxicity prediction, and regulatory decisions. Despite major advances in algorithms and software, QSAR models have inherent limitations associated with a size and chemical-struc...
| Autores principales: | , , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
National Institute of Environmental Health Sciences
2004
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1277118/ https://www.ncbi.nlm.nih.gov/pubmed/15345371 http://dx.doi.org/10.1289/txg.7125 |