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    • 3. 发明申请
    • HYBIRD FRAGMENT-LIGAND MODELING FOR CLASSIFYING CHEMICAL COMPOUNDS
    • 用于分类化学化合物的HYBIRD FRAGMENT-LIGAND建模
    • WO2012031215A1
    • 2012-03-08
    • PCT/US2011/050350
    • 2011-09-02
    • UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC.CUNNINGHAM, AlbertTRENT, John, O.
    • CUNNINGHAM, AlbertTRENT, John, O.
    • C07K1/00G01N33/48G01N31/00
    • G06F19/704C40B30/02G06F19/707Y02A90/26
    • A structure activity relationship model is used for determining whether unknown chemical compounds are of a desired classification where the structure activity relationship model is based on a set of known chemical compounds having known structural or biological descriptors. The structure activity relationship model determines whether unknown chemical compounds are of the desired classification, where the system and method compare descriptors of the known chemical compounds to structural and/or biological descriptors of the unknown chemical compounds to determine whether the test chemical compounds are of the desired classification. structure activity relationship model is used studying how particular agents may induce disease or act as therapeutic agents. Furthermore, the model may also be used to study in general how groups of agents induce disease or act as therapeutic agents and to study the etiology and treatment of disease in general.
    • 结构活动关系模型用于确定未知化合物是否具有期望的分类,其中结构活性关系模型基于具有已知结构或生物描述符的一组已知化合物。 结构活动关系模型确定未知化合物是否具有所需的分类,其中系统和方法将已知化合物的描述符与未知化合物的结构和/或生物描述符进行比较,以确定测试化合物是否为 期望分类。 结构活动关系模型用于研究特定药剂如何诱导疾病或作为治疗剂。 此外,该模型还可以用于一般地研究药剂组如何诱导疾病或作为治疗剂,并且一般地研究疾病的病因和治疗。