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» Data mining in the chemical industry
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KDD
2008
ACM
121views Data Mining» more  KDD 2008»
14 years 5 months ago
Reconstructing chemical reaction networks: data mining meets system identification
We present an approach to reconstructing chemical reaction networks from time series measurements of the concentrations of the molecules involved. Our solution strategy combines t...
Yong Ju Cho, Naren Ramakrishnan, Yang Cao
ISBI
2007
IEEE
13 years 11 months ago
Prospecting for Live Cell Bioimaging Probes with Cheminformatic Assisted Image Array (caia)
Cheminformatic Assisted Image Array (CAIA) is a data mining and visualization tool linking chemical structures to microscope images of cells incubated with prospective bioimaging ...
Maria M. Posada, Kerby Shedden, Young Tae Chang, Q...
AUSDM
2007
Springer
76views Data Mining» more  AUSDM 2007»
13 years 11 months ago
Evaluation of a Graduate Level Data Mining Course with Industry Participants
Data mining courses are increasingly being taught at many universities at both undergraduate and graduate levels. This paper reports on a new graduate level data mining course run...
Peter Christen
ICDM
2003
IEEE
154views Data Mining» more  ICDM 2003»
13 years 10 months ago
Frequent Sub-Structure-Based Approaches for Classifying Chemical Compounds
In this paper we study the problem of classifying chemical compound datasets. We present a sub-structure-based classification algorithm that decouples the sub-structure discovery...
Mukund Deshpande, Michihiro Kuramochi, George Kary...