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ccbmlib – a Python package for modeling Tanimoto similarity value distributions

The ccbmlib Python package is a collection of modules for modeling similarity value distributions based on Tanimoto coefficients for fingerprints available in RDKit. It can be used to assess the statistical significance of Tanimoto coefficients and evaluate how molecular similarity is reflected when...

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Detalles Bibliográficos
Autores principales: Vogt, Martin, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: F1000 Research Limited 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7050271/
https://www.ncbi.nlm.nih.gov/pubmed/32161645
http://dx.doi.org/10.12688/f1000research.22292.2