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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6755589/ https://www.ncbi.nlm.nih.gov/pubmed/30467740 http://dx.doi.org/10.1186/s13321-018-0311-x |