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JPlogP: an improved logP predictor trained using predicted data

The partition coefficient between octanol and water (logP) has been an important descriptor in QSAR predictions for many years and therefore the prediction of logP has been examined countless times. One of the best performing models is to predict the logP using multiple methods and average the resul...

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Detalles Bibliográficos
Autores principales: Plante, Jeffrey, Werner, Stephane
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6755606/
https://www.ncbi.nlm.nih.gov/pubmed/30552535
http://dx.doi.org/10.1186/s13321-018-0316-5