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109
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BIBM
2009
IEEE
206views Bioinformatics» more  BIBM 2009»
15 years 5 months ago
Application of Kernel Functions for Accurate Similarity Search in Large Chemical Databases
Background: Similaritysearch in chemical structure databases is an important problem with many applications in chemical genomics, drug design, and efficient chemical probe screeni...
Xiaohong Wang, Jun Huan, Aaron M. Smalter, Gerald ...
17
Voted
JCISD
1998
56views more  JCISD 1998»
14 years 10 months ago
Chemical Similarity Searching
Peter Willett 0002, John M. Barnard, Geoffrey M. D...
143
Voted
PROCEDIA
2011
14 years 1 months ago
GPU-accelerated Chemical Similarity Assessment for Large Scale Databases
The assessment of chemical similarity between molecules is a basic operation in chemoinformatics, a computational area concerning with the manipulation of chemical structural info...
Marco Maggioni, Marco D. Santambrogio, Jie Liang
WABI
2009
Springer
102views Bioinformatics» more  WABI 2009»
15 years 5 months ago
A Tree Based Method for the Rapid Screening of Chemical Fingerprints
Background: The fingerprint of a molecule is a bitstring based on its structure, constructed such that structurally similar molecules will have similar fingerprints. Molecular fin...
Thomas G. Kristensen, Jesper Nielsen, Christian N....
89
Voted
NAR
2008
103views more  NAR 2008»
14 years 11 months ago
STITCH: interaction networks of chemicals and proteins
The knowledge about interactions between proteins and small molecules is essential for the understanding of molecular and cellular functions. However, information on such interact...
Michael Kuhn 0004, Christian von Mering, Monica Ca...