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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Detalles Bibliográficos
Autores principales: Cannon, Edward O, Nigsch, Florian, Mitchell, John BO
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2008
Materias:
Methodology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2275267/
https://www.ncbi.nlm.nih.gov/pubmed/18282294
http://dx.doi.org/10.1186/1752-153X-2-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2275267/
https://www.ncbi.nlm.nih.gov/pubmed/18282294
http://dx.doi.org/10.1186/1752-153X-2-3

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