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Galileo: Three-dimensional searching in large combinatorial fragment spaces on the example of pharmacophores
Fragment spaces are an efficient way to model large chemical spaces using a handful of small fragments and a few connection rules. The development of Enamine’s REAL Space has shown that large spaces of readily available compounds may be created this way. These are several orders of magnitude larger...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10032335/ https://www.ncbi.nlm.nih.gov/pubmed/36418668 http://dx.doi.org/10.1007/s10822-022-00485-y |