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Bioactivity Comparison Across Multiple Machine Learning Algorithms Using Over 5000 Datasets for Drug Discovery

Machine learning methods are attracting considerable attention from the pharmaceutical industry for use in drug discovery and applications beyond. In recent studies we and others have applied multiple machine learning algorithms, modeling metrics and in some cases compared molecular descriptors to b...

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Detalhes bibliográficos
Publicado no:Mol Pharm
Main Authors: Lane, Thomas R., Foil, Daniel H., Minerali, Eni, Urbina, Fabio, Zorn, Kimberley M., Ekins, Sean
Formato: Artigo
Idioma:Inglês
Publicado em: 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8237624/
https://ncbi.nlm.nih.gov/pubmed/33325717
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.molpharmaceut.0c01013
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