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Comparing structural fingerprints using a literature-based similarity benchmark
BACKGROUND: The concept of molecular similarity is one of the central ideas in cheminformatics, despite the fact that it is ill-defined and rather difficult to assess objectively. Here we propose a practical definition of molecular similarity in the context of drug discovery: molecules A and B are s...
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| Publicado no: | J Cheminform |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4932683/ https://ncbi.nlm.nih.gov/pubmed/27382417 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-016-0148-0 |
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