Bioinformatics and cheminformatics: where do the twain meet?
Curr Opin Drug Discov Devel
; 11(3): 311-9, 2008 May.
Article
en En
| MEDLINE
| ID: mdl-18428084
ABSTRACT
Bridging the domains of cheminformatics and bioinformatics in the post-genomic era requires the convergence of goals, tools, techniques and annotations. This article reviews recent research at the interface of the domains that shows evidence of this convergence. While graph theoretical representations have long been used to develop simple topological descriptions of molecules, graph theory-based network concepts are also widely employed in systems biology. Shape and conformation are important for understanding intermolecular interactions, and several structure-based cheminformatic descriptors have been developed and applied to drug-like molecules and biomolecules. Data fusion methods and shared ontologies can also help integrate data from multiple sources in order to generate a holistic picture of the shared molecular informatics domain.
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Base de datos:
MEDLINE
Asunto principal:
Diseño de Fármacos
/
Tecnología Farmacéutica
/
Diseño Asistido por Computadora
/
Biología Computacional
/
Bibliotecas de Moléculas Pequeñas
Límite:
Animals
/
Humans
Idioma:
En
Revista:
Curr Opin Drug Discov Devel
Asunto de la revista:
FARMACOLOGIA
/
TERAPIA POR MEDICAMENTOS
Año:
2008
Tipo del documento:
Article
País de afiliación:
Estados Unidos