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Implicit-descriptor ligand-based virtual screening by means of collaborative filtering
Current ligand-based machine learning methods in virtual screening rely heavily on molecular fingerprinting for preprocessing, i.e., explicit description of ligands’ structural and physicochemical properties in a vectorized form. Of particular importance to current methods are the extent to which mo...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6755561/ https://www.ncbi.nlm.nih.gov/pubmed/30467684 http://dx.doi.org/10.1186/s13321-018-0310-y |