Catálogo de publicaciones - libros
New Frontiers in Artificial Intelligence: JSAI 2003 and JSAI 2004 Conferences and Workshops, Niigata, Japan, June 23-27, 2003 and Kanazawa, Japan, May 31: June 4, 2004, Revised Selected Papers
Akito Sakurai ; Kôiti Hasida ; Katsumi Nitta (eds.)
Resumen/Descripción – provisto por la editorial
No disponible.
Palabras clave – provistas por la editorial
Artificial Intelligence (incl. Robotics); Data Mining and Knowledge Discovery; Information Storage and Retrieval; Information Systems Applications (incl. Internet); User Interfaces and Human Computer Interaction; Computers and Society
Disponibilidad
| Institución detectada | Año de publicación | Navegá | Descargá | Solicitá |
|---|---|---|---|---|
| No detectada | 2007 | SpringerLink |
Información
Tipo de recurso:
libros
ISBN impreso
978-3-540-71008-0
ISBN electrónico
978-3-540-71009-7
Editor responsable
Springer Nature
País de edición
Reino Unido
Fecha de publicación
2007
Información sobre derechos de publicación
© Springer-Verlag Berlin Heidelberg 2007
Tabla de contenidos
Mining of Three-Dimensional Structural Fragments in Drug Molecules
Hiroaki Kato; Takashi Koshika; Yoshimasa Takahashi; Hidetsugu Abe
This paper describes an approach to three-dimensional structure data mining of drug molecules. The approach is based on reduced graph representation of molecular structures and 3D substructure searching. The procedure was implemented as a software tool, called FragSearch. The tool allows us to actively find meaningful 3D structural features that appear in a particular class of drug molecules. Usage of the approach is discussed with some computational trials using a real dataset of drug molecules.
VII - Workshop on Active Mining | Pp. 538-545