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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Detalhes bibliográficos
Publicado no:J Chem Inf Model
Main Authors: 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: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2020
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7189366/
https://ncbi.nlm.nih.gov/pubmed/32243153
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b01053
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