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PubChem atom environments
BACKGROUND: Atom environments and fragments find wide-spread use in chemical information and cheminformatics. They are the basis of prediction models, an integral part in similarity searching, and employed in structure search techniques. Most of these methods were developed and evaluated on the rela...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4540750/ https://www.ncbi.nlm.nih.gov/pubmed/26300985 http://dx.doi.org/10.1186/s13321-015-0076-4 |