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A novel hybrid ultrafast shape descriptor method for use in virtual screening
BACKGROUND: We have introduced a new Hybrid descriptor composed of the MACCS key descriptor encoding topological information and Ballester and Richards' Ultrafast Shape Recognition (USR) descriptor. The latter one is calculated from the moments of the distribution of the interatomic distances,...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
BioMed Central
2008
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2275267/ https://ncbi.nlm.nih.gov/pubmed/18282294 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1752-153X-2-3 |
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