Open-source platform to benchmark fingerprints for ligand-based virtual screening

Similarity-search methods using molecular fingerprints are an important tool for ligand-based virtual screening. A huge variety of fingerprints exist and their performance, usually assessed in retrospective benchmarking studies using data sets with known actives and known or assumed inactives, depen...

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Detalles Bibliográficos
Autores principales: Riniker, Sereina, Landrum, Gregory A
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2013
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3686626/
https://www.ncbi.nlm.nih.gov/pubmed/23721588
http://dx.doi.org/10.1186/1758-2946-5-26

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3686626/
https://www.ncbi.nlm.nih.gov/pubmed/23721588
http://dx.doi.org/10.1186/1758-2946-5-26

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