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Statistical-based database fingerprint: chemical space dependent representation of compound databases

BACKGROUND: Simplified representation of compound databases has several applications in cheminformatics. Herein, we introduce an alternative and general method to build single fingerprint representations of compound databases. The approach is inspired on the previously published modal fingerprints t...

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Detalhes bibliográficos
Publicado no:J Cheminform
Main Authors: Sánchez-Cruz, Norberto, Medina-Franco, José L.
Formato: Artigo
Idioma:Inglês
Publicado em: Springer International Publishing 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6755589/
https://ncbi.nlm.nih.gov/pubmed/30467740
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-018-0311-x
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