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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Vydáno v:J Chem Inf Model
Hlavní autoři: 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.
Médium: Artigo
Jazyk:Inglês
Vydáno: American Chemical Society 2020
On-line přístup: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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