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Comparison and improvement of the predictability and interpretability with ensemble learning models in QSPR applications

Ensemble learning helps improve machine learning results by combining several models and allows the production of better predictive performance compared to a single model. It also benefits and accelerates the researches in quantitative structure–activity relationship (QSAR) and quantitative structur...

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Detalles Bibliográficos
Autores principales: Chen, Chia-Hsiu, Tanaka, Kenichi, Kotera, Masaaki, Funatsu, Kimito
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7106596/
https://www.ncbi.nlm.nih.gov/pubmed/33430997
http://dx.doi.org/10.1186/s13321-020-0417-9