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    Fast Similarity Search in Three-Dimensional Structure Databases
    15 years 3 months ago
    Fast Similarity Search in Three-Dimensional Structure Databases
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    Xiong Wang, Jason Tsong-Li Wang
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    JCISD
    2000
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    Quasi-orthogonal Basis Sets of Molecular Graph Descriptors as a Chemical Diversity Measure
    15 years 3 months ago
    Quasi-orthogonal Basis Sets of Molecular Graph Descriptors as a Chemical Diversity Measure
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    Ovidiu Ivanciuc, Stavros L. Taraviras, Daniel Cabr...
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    JCISD
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    Combinatorial Library Design: Maximizing Model-Fitting Compounds within Matrix Synthesis Constraints
    15 years 3 months ago
    Combinatorial Library Design: Maximizing Model-Fitting Compounds within Matrix Synthesis Constraints
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    Robert V. Stanton, John Mount, Jennifer L. Miller
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    JCISD
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    Symbolic, Neural, and Bayesian Machine Learning Models for Predicting Carcinogenicity of Chemical Compounds
    15 years 3 months ago
    Symbolic, Neural, and Bayesian Machine Learning Models for Predicting Carcinogenicity of Chemical Compounds
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    Dennis Bahler, Brian Stone, Carol Wellington, Doug...
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    JCISD
    2000
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    Pentaheptite Modifications of the Graphite Sheet
    15 years 3 months ago
    Pentaheptite Modifications of the Graphite Sheet
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    Michel Deza, Patrick W. Fowler, Mikhail Shtogrin, ...
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