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    EAGC
    2004
    Springer
    111views Distributed And Parallel Com...» more  EAGC 2004»
    OpenMolGRID, a GRID Based System for Solving Large-Scale Drug Design Problems
    13 years 11 months ago
    OpenMolGRID, a GRID Based System for Solving Large-Scale Drug Design Problems
    Download  www.compudrug.com
    Ferenc Darvas, Ákos Papp, István B&a...
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    NAR
    2011
    244views Computer Vision» more  NAR 2011»
    PROMISCUOUS: a database for network-based drug-repositioning
    13 years 21 days ago
    PROMISCUOUS: a database for network-based drug-repositioning
    Download  bioinformatics.charite.de
    The procedure of drug approval is time-consuming, costly and risky. Accidental findings regarding multispecificity of approved drugs led to block-busters in new indication areas. ...
    Joachim von Eichborn, Manuela S. Murgueitio, Mathi...
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    BMCBI
    2008
    172views more  BMCBI 2008»
    Classification of drug molecules considering their IC50 values using mixed-integer linear programming based hyper-boxes method
    13 years 5 months ago
    Classification of drug molecules considering their IC50 values using mixed-integer linear programming based hyper-boxes method
    Download  www.biomedcentral.com
    Background: A priori analysis of the activity of drugs on the target protein by computational approaches can be useful in narrowing down drug candidates for further experimental t...
    Pelin Armutlu, Muhittin Emre Ozdemir, Fadime Ü...
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    BMCBI
    2008
    84views more  BMCBI 2008»
    poolHiTS: A Shifted Transversal Design based pooling strategy for high-throughput drug screening
    13 years 5 months ago
    poolHiTS: A Shifted Transversal Design based pooling strategy for high-throughput drug screening
    Download  www.biomedcentral.com
    Background: A key goal of drug discovery is to increase the throughput of small molecule screens without sacrificing screening accuracy. High-throughput screening (HTS) in drug di...
    Raghunandan M. Kainkaryam, Peter J. Woolf
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    GECCO
    2000
    Springer
    127views Optimization» more  GECCO 2000»
    Evolving Molecules for Drug Design Using Genetic Algorithms via Molecular Trees
    13 years 9 months ago
    Evolving Molecules for Drug Design Using Genetic Algorithms via Molecular Trees
    Download  www.cs.bham.ac.uk
    We present a new representation for a genetic algorithm to evolve molecular structures representing possible drugs that bind to a given protein target receptor. Our representation...
    Gerard Kian-Meng Goh, James A. Foster
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