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Increasing Chemical Space Coverage by Combining Empirical and Computational Fragment Screens
[Image: see text] Most libraries for fragment-based drug discovery are restricted to 1,000–10,000 compounds, but over 500,000 fragments are commercially available and potentially accessible by virtual screening. Whether this larger set would increase chemotype coverage, and whether a computational s...
| Autores principales: | , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4215856/ https://www.ncbi.nlm.nih.gov/pubmed/24807704 http://dx.doi.org/10.1021/cb5001636 |