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A constructive approach for discovering new drug leads: Using a kernel methodology for the inverse-QSAR problem
BACKGROUND: The inverse-QSAR problem seeks to find a new molecular descriptor from which one can recover the structure of a molecule that possess a desired activity or property. Surprisingly, there are very few papers providing solutions to this problem. It is a difficult problem because the molecul...
| Autores principales: | , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2009
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2816860/ https://www.ncbi.nlm.nih.gov/pubmed/20142987 http://dx.doi.org/10.1186/1758-2946-1-4 |