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    • 4. 发明申请
    • APPLICATION OF MULTIDIMENSIONAL MATRIX FOR DRUG MOLECULAS DESIGN AND THE METHODOLOGIES FOR DRUG MOLECULAR DESIGN
    • 多药基因在药物分子设计中的应用及药物分子设计方法
    • US20140032198A1
    • 2014-01-30
    • US14111357
    • 2012-04-09
    • Jingbo YanXiumin Huo
    • Jingbo YanXiumin Huo
    • G06F19/00
    • G16C10/00G16C20/50
    • The present invention relates to the application of multidimensional matrix for drug design and the methodology for drug design, which for the first time introduces the concept of matrix optimization in mathematics to the design of drugs and the relevant molecules. The present invention uses multidimensional matrix to analyze the permutation and combination of factors that affect the chemical structures and properties of drugs, and classifies and compares the huge amounts of factors need to be considered in the drug discovery according to certain features, thus utilizes fewer number of variables to represent the huge number of variable factors to specifically obtain chemical structures for effective drugs and improves the physicochemical properties of the compounds. By structural comparison of the results with the experimental data of known drugs or compounds in all stages of drug discovery, the present invention further optimizes the molecular chemical structure of drugs and significantly increases the specificity and efficiency of drug design, and significantly increases the efficiency of synthesis.
    • 本发明涉及用于药物设计的多维矩阵的应用和药物设计的方法,其首次将数学中矩阵优化的概念引入到药物和相关分子的设计中。 本发明使用多维矩阵来分析影响药物的化学结构和性质的因素的置换和组合,并且根据某些特征对药物发现中需要考虑的大量因素进行分类和比较,从而利用较少的数目 的变量来代表大量的可变因子,以具体获得有效药物的化学结构,提高化合物的物理化学性质。 通过结果与药物发现的所有阶段中已知药物或化合物的实验数据的结构比较,本发明进一步优化药物的分子化学结构,并显着增加药物设计的特异性和效率,并且显着提高药物的效率 合成。