SYSTEM, METHOD AND PROGRAM FOR PHARMACOKINETIC PARAMETER PREDICTION OF PEPTIDE SEQUENCE BY MATHEMATICAL MODEL
    5.
    发明申请
    SYSTEM, METHOD AND PROGRAM FOR PHARMACOKINETIC PARAMETER PREDICTION OF PEPTIDE SEQUENCE BY MATHEMATICAL MODEL 审中-公开
    用数学模型进行药代动力学参数预测的系统,方法与程序

    公开(公告)号:US20100121791A1

    公开(公告)日:2010-05-13

    申请号:US12513279

    申请日:2007-05-28

    IPC分类号: G06F15/18 G06F17/10 G06G7/60

    CPC分类号: G16B15/00 G16B40/00

    摘要: The present invention relates to the system, method and program for the pharmacokinetic parameter prediction of peptide sequence by the mathematical model.The present invention is comprising the steps of acquiring a variety of peptide sequence having specific features by the experimental technique; acquiring, on the basis of the sequence, a variety of peptide sequences lacking the specific features; storing the acquired peptide sequences as each set respectively, followed by randomly extracting peptide sequences in the constant ratio to divide into a training set and a test set of mathematical model; allowing individual peptide sequence descriptor values and an activity value; training the set of training peptide by mathematical model; predicting pharmacokinetic parameter of the set of test peptide by the trained mathematical model; and validating the trained mathematical model. The present invention is useful because the pharmacokinetic parameter of peptide sequence, which are necessary for oral drug delivery, can be predicted in advance by not an experiment, but the program-storage medium, and cost and time can be reduced compared to an experiment as a result.

    摘要翻译: 本发明涉及通过数学模型对肽序列的药代动力学参数预测的系统,方法和程序。 本发明包括通过实验技术获得具有特定特征的各种肽序列的步骤; 在序列的基础上获得缺乏特定特征的多种肽序列; 分别存储获得的肽序列,然后以恒定比例随机提取肽序列,以分成训练集和数学模型的测试集合; 允许单个肽序列描述符值和活性值; 通过数学模型训练一套训练肽; 通过训练数学模型预测该组测试肽的药代动力学参数; 并验证训练有素的数学模型。 本发明是有用的,因为口服药物递送所必需的肽序列的药代动力学参数可以通过实验预先预测,但与实验相比可以减少程序储存培养基,并且可以降低成本和时间 结果。