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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...

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Detalles Bibliográficos
Autores principales: Srinivas, Raghuram, Klimovich, Pavel V., Larson, Eric C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2018
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

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