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...

Descripción completa

Detalles Bibliográficos
Autores principales: Sahigara, Faizan, Mansouri, Kamel, Ballabio, Davide, Mauri, Andrea, Consonni, Viviana, Todeschini, Roberto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2012
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268288/
https://www.ncbi.nlm.nih.gov/pubmed/22534664
http://dx.doi.org/10.3390/molecules17054791

Ejemplares similares