A decision-theoretic approach to the evaluation of machine learning algorithms in computational drug discovery

MOTIVATION: Artificial intelligence, trained via machine learning (e.g. neural nets, random forests) or computational statistical algorithms (e.g. support vector machines, ridge regression), holds much promise for the improvement of small-molecule drug discovery. However, small-molecule structure-ac...

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Detalles Bibliográficos
Autores principales: Watson, Oliver P, Cortes-Ciriano, Isidro, Taylor, Aimee R, Watson, James A
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2019
Materias:
Original Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6853675/
https://www.ncbi.nlm.nih.gov/pubmed/31070704
http://dx.doi.org/10.1093/bioinformatics/btz293

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6853675/
https://www.ncbi.nlm.nih.gov/pubmed/31070704
http://dx.doi.org/10.1093/bioinformatics/btz293

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