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» Spiral Mining Using Attributes from 3D Molecular Structures
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AMINING
2003
Springer
245views Data Mining» more  AMINING 2003»
13 years 10 months ago
Spiral Mining Using Attributes from 3D Molecular Structures
Active responses from experts play an essential role in the knowledge discovery of SAR (structure activity relationships) from drug data. Experts often think of hypotheses, and the...
Takashi Okada, Masumi Yamakawa, Hirotaka Niitsuma
EDBT
2012
ACM
257views Database» more  EDBT 2012»
11 years 7 months ago
Indexing and mining topological patterns for drug discovery
Increased availability of large repositories of chemical compounds has created new challenges and opportunities for the application of data-mining and indexing techniques to probl...
Sayan Ranu, Ambuj K. Singh
PKDD
1999
Springer
109views Data Mining» more  PKDD 1999»
13 years 9 months ago
Predicting Chemical Carcinogenesis Using Structural Information Only
This paper reports on the application of the Strongly Typed Evolutionary Programming System STEPS to the PTE2 challenge, which consists of predicting the carcinogenic activity of...
Claire J. Kennedy, Christophe G. Giraud-Carrier, D...
BMCBI
2010
164views more  BMCBI 2010»
13 years 5 months ago
Flexible network reconstruction from relational databases with Cytoscape and CytoSQL
Background: Molecular interaction networks can be efficiently studied using network visualization software such as Cytoscape. The relevant nodes, edges and their attributes can be...
Kris Laukens, Jens Hollunder, Thanh Hai Dang, Geer...