Cargando…
Comparison of Different Approaches to Define the Applicability Domain of QSAR Models
One of the OECD principles for model validation requires defining the Applicability Domain (AD) for the QSAR models. This is important since the reliable predictions are generally limited to query chemicals structurally similar to the training compounds used to build the model. Therefore, characteri...
| Autores principales: | , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2012
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268288/ https://www.ncbi.nlm.nih.gov/pubmed/22534664 http://dx.doi.org/10.3390/molecules17054791 |