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A probabilistic molecular fingerprint for big data settings
BACKGROUND: Among the various molecular fingerprints available to describe small organic molecules, extended connectivity fingerprint, up to four bonds (ECFP4) performs best in benchmarking drug analog recovery studies as it encodes substructures with a high level of detail. Unfortunately, ECFP4 req...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6755601/ https://www.ncbi.nlm.nih.gov/pubmed/30564943 http://dx.doi.org/10.1186/s13321-018-0321-8 |