Can human experts predict solubility better than computers?

In this study, we design and carry out a survey, asking human experts to predict the aqueous solubility of druglike organic compounds. We investigate whether these experts, drawn largely from the pharmaceutical industry and academia, can match or exceed the predictive power of algorithms. Alongside...

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Detalles Bibliográficos
Autores principales: Boobier, Samuel, Osbourn, Anne, Mitchell, John B. O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2017
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5729181/
https://www.ncbi.nlm.nih.gov/pubmed/29238891
http://dx.doi.org/10.1186/s13321-017-0250-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5729181/
https://www.ncbi.nlm.nih.gov/pubmed/29238891
http://dx.doi.org/10.1186/s13321-017-0250-y

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