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    2005
    IEEE
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    Inverse Design of Large Molecules using Linear Diophantine Equations
    13 years 10 months ago
    Inverse Design of Large Molecules using Linear Diophantine Equations
    Download  conferences.computer.org
    We have previously developed a method [1] for the inverse design of small ligands. This method can be used to design novel compounds with optimized properties (such as drugs) and ...
    Shawn Martin, W. Michael Brown, Jean-Loup Faulon, ...
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