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A Ligand-Based Virtual Screening Method Using Direct Quantification of Generalization Ability
Machine learning plays an important role in ligand-based virtual screening. However, conventional machine learning approaches tend to be inefficient when dealing with such problems where the data are imbalanced and features describing the chemical characteristic of ligands are high-dimensional. We h...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6651094/ https://www.ncbi.nlm.nih.gov/pubmed/31262005 http://dx.doi.org/10.3390/molecules24132414 |