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    JPDC
    2006
    117views more  JPDC 2006»
    Efficient synthesis of out-of-core algorithms using a nonlinear optimization solver
    14 years 9 months ago
    Efficient synthesis of out-of-core algorithms using a nonlinear optimization solver
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    We address the problem of efficient out-of-core code generation for a special class of imperfectly nested loops encoding tensor contractions arising in quantum chemistry computati...
    Sandhya Krishnan, Sriram Krishnamoorthy, Gerald Ba...
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    JCC
    2007
    69views more  JCC 2007»
    Discrimination of dynamical system models for biological and chemical processes
    14 years 9 months ago
    Discrimination of dynamical system models for biological and chemical processes
    Download  biocomputing.mi.fu-berlin.de
    In technical chemistry, systems biology and biotechnology, the construction of predictive models has become an essential step in process design and product optimization. Accurate ...
    Sönke Lorenz, Elmar Diederichs, Regina Telgma...
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    JCISD
    2002
    63views more  JCISD 2002»
    Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure-Property Relationships
    14 years 9 months ago
    Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure-Property Relationships
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    High performance liquid chromatography (HPLC) with ultraviolet (UV) spectrophotometric detection is a common method for analyzing reaction products in organic chemistry. This proc...
    William L. Fitch, Malcolm McGregor, Alan R. Katrit...
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    BIOINFORMATICS
    2012
    258views Distributed And Parallel Com...» more  BIOINFORMATICS 2012»
    Causal reasoning on biological networks: interpreting transcriptional changes
    12 years 12 months ago
    Causal reasoning on biological networks: interpreting transcriptional changes
    Download  www.bensidders.co.uk
    d Abstract) Leonid Chindelevitch1 , Daniel Ziemek1, , Ahmed Enayetallah2 , Ranjit Randhawa1 , Ben Sidders3 , Christoph Brockel4 , and Enoch Huang1 1 Computational Sciences Center o...
    Leonid Chindelevitch, Daniel Ziemek, Ahmed Enayeta...
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    BMCBI
    2010
    188views more  BMCBI 2010»
    CDK-Taverna: an open workflow environment for cheminformatics
    14 years 9 months ago
    CDK-Taverna: an open workflow environment for cheminformatics
    Download  www.biomedcentral.com
    Background: Small molecules are of increasing interest for bioinformatics in areas such as metabolomics and drug discovery. The recent release of large open access chemistry datab...
    Thomas Kuhn, Egon L. Willighagen, Achim Zielesny, ...
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