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KNIME-CDK: Workflow-driven cheminformatics
BACKGROUND: Cheminformaticians have to routinely process and analyse libraries of small molecules. Among other things, that includes the standardization of molecules, calculation of various descriptors, visualisation of molecular structures, and downstream analysis. For this purpose, scientific work...
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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
BioMed Central
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3765822/ https://ncbi.nlm.nih.gov/pubmed/24103053 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-14-257 |
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