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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...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
BioMed Central
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3033338/ https://ncbi.nlm.nih.gov/pubmed/21219648 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-3-3 |
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