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Bioactive Molecule Prediction Using Extreme Gradient Boosting
Following the explosive growth in chemical and biological data, the shift from traditional methods of drug discovery to computer-aided means has made data mining and machine learning methods integral parts of today’s drug discovery process. In this paper, extreme gradient boosting (Xgboost), which i...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273295/ https://www.ncbi.nlm.nih.gov/pubmed/27483216 http://dx.doi.org/10.3390/molecules21080983 |