Practical guidelines for the use of gradient boosting for molecular property prediction

Decision tree ensembles are among the most robust, high-performing and computationally efficient machine learning approaches for quantitative structure–activity relationship (QSAR) modeling. Among them, gradient boosting has recently garnered particular attention, for its performance in data science...

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Detalles Bibliográficos
Autores principales: Boldini, Davide, Grisoni, Francesca, Kuhn, Daniel, Friedrich, Lukas, Sieber, Stephan A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10464382/
https://www.ncbi.nlm.nih.gov/pubmed/37641120
http://dx.doi.org/10.1186/s13321-023-00743-7

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10464382/
https://www.ncbi.nlm.nih.gov/pubmed/37641120
http://dx.doi.org/10.1186/s13321-023-00743-7

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