AMPL: A Data-Driven Modeling Pipeline for Drug Discovery

[Image: see text] One of the key requirements for incorporating machine learning (ML) into the drug discovery process is complete traceability and reproducibility of the model building and evaluation process. With this in mind, we have developed an end-to-end modular and extensible software pipeline...

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Detalles Bibliográficos
Autores principales: Minnich, Amanda J., McLoughlin, Kevin, Tse, Margaret, Deng, Jason, Weber, Andrew, Murad, Neha, Madej, Benjamin D., Ramsundar, Bharath, Rush, Tom, Calad-Thomson, Stacie, Brase, Jim, Allen, Jonathan E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7189366/
https://www.ncbi.nlm.nih.gov/pubmed/32243153
http://dx.doi.org/10.1021/acs.jcim.9b01053

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7189366/
https://www.ncbi.nlm.nih.gov/pubmed/32243153
http://dx.doi.org/10.1021/acs.jcim.9b01053

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