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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2023
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| Materias: | |
| 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 |