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EDBT
2012
ACM
257views Database» more  EDBT 2012»
13 years 8 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
SDM
2009
SIAM
138views Data Mining» more  SDM 2009»
16 years 3 months ago
ShatterPlots: Fast Tools for Mining Large Graphs.
Graphs appear in several settings, like social networks, recommendation systems, computer communication networks, gene/protein biological networks, among others. A deep, recurring...
Ana Paula Appel, Andrew Tomkins, Christos Faloutso...
BMCBI
2005
104views more  BMCBI 2005»
15 years 6 months ago
Scoring functions for transcription factor binding site prediction
Background: Transcription factor binding site (TFBS) prediction is a difficult problem, which requires a good scoring function to discriminate between real binding sites and backg...
Markus T. Friberg, Peter von Rohr, Gaston H. Gonne...
AFRIGRAPH
2010
ACM
15 years 10 months ago
Visualization of solution sets from automated docking of molecular structures
Aligning structures, often referred to as docking or registration, is frequently required in fields such as computer science, robotics and structural biology. The task of alignin...
Johannes Jansen van Vuuren, Michelle Kuttel, James...
BMCBI
2010
151views more  BMCBI 2010»
15 years 6 months ago
Using diffusion distances for flexible molecular shape comparison
Background: Many molecules are flexible and undergo significant shape deformation as part of their function, and yet most existing molecular shape comparison (MSC) methods treat t...
Yu-Shen Liu, Qi Li, Guo-Qin Zheng, Karthik Ramani,...