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jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints
BACKGROUND: The decomposition of a chemical graph is a convenient approach to encode information of the corresponding organic compound. While several commercial toolkits exist to encode molecules as so-called fingerprints, only a few open source implementations are available. The aim of this work is...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2011
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3033338/ https://www.ncbi.nlm.nih.gov/pubmed/21219648 http://dx.doi.org/10.1186/1758-2946-3-3 |