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Scaffold analysis of PubChem database as background for hierarchical scaffold-based visualization
BACKGROUND: Visualization of large molecular datasets is a challenging yet important topic utilised in diverse fields of chemistry ranging from material engineering to drug design. Especially in drug design, modern methods of high-throughput screening generate large amounts of molecular data that ca...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5199768/ https://www.ncbi.nlm.nih.gov/pubmed/28090217 http://dx.doi.org/10.1186/s13321-016-0186-7 |