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DeCAF—Discrimination, Comparison, Alignment Tool for 2D PHarmacophores
Comparison of small molecules is a common component of many cheminformatics workflows, including the design of new compounds and libraries as well as side-effect predictions and drug repurposing. Currently, large-scale comparison methods rely mostly on simple fingerprint representation of molecules,...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6152008/ https://www.ncbi.nlm.nih.gov/pubmed/28684712 http://dx.doi.org/10.3390/molecules22071128 |