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A novel descriptor based on atom-pair properties
BACKGROUND: Molecular descriptors have been widely used to predict biological activities and physicochemical properties or to analyze chemical libraries on the basis of similarity. Although fingerprints and properties are generally used as descriptors, neither is perfect for these purposes. A finger...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5270600/ https://www.ncbi.nlm.nih.gov/pubmed/28316652 http://dx.doi.org/10.1186/s13321-016-0187-6 |