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Analogue-based approaches in anti-cancer compound modelling: the relevance of QSAR models
BACKGROUND: QSAR is among the most extensively used computational methodology for analogue-based design. The application of various descriptor classes like quantum chemical, molecular mechanics, conceptual density functional theory (DFT)- and docking-based descriptors for predicting anti-cancer acti...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer
2011
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3279142/ https://www.ncbi.nlm.nih.gov/pubmed/22373294 http://dx.doi.org/10.1186/2191-2858-1-3 |