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Similarity maps - a visualization strategy for molecular fingerprints and machine-learning methods

Fingerprint similarity is a common method for comparing chemical structures. Similarity is an appealing approach because, with many fingerprint types, it provides intuitive results: a chemist looking at two molecules can understand why they have been determined to be similar. This transparency is pa...

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Detalhes bibliográficos
Main Authors: Riniker, Sereina, Landrum, Gregory A
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3852750/
https://ncbi.nlm.nih.gov/pubmed/24063533
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-5-43
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