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...

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Detalles Bibliográficos
Autores principales: Spjuth, Ola, Willighagen, Egon L, Guha, Rajarshi, Eklund, Martin, Wikberg, Jarl ES
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2010
Materias:
Methodology
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

Internet

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

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