| 1. | Quantitative structure - activity relationship is a method building a statistical model . the model can quantificationally predict structure - activity relationship of molecule , and bioactivity of new molecules can be known . structure of molecule , which is described by parameters in physical chemistry , biochemistry and quantum chemistry , includes functional group , minor structure , molecular fragment , chemical composition
本文提出了一种定量构效关系的处理方法,即应用支持向量回归方法解决定量构效关系,并且应用这种方法预测了芳香烃化合物生物降解度与喜树碱化合物抗肿瘤生物活性,取得了比较令人满意的结果。 |
