Randić M, Vracko M
National Institute of Chemistry, Ljubljana, Slovenia. milan.randic&drake.edu.
J Chem Inf Comput Sci. 2000 May-Jun;40(3):599-606. doi: 10.1021/ci9901082.
We consider numerical characterization of graphical representations of DNA primary sequences. In particular we consider graphical representation of DNA of beta-globins of several species, including human, on the basis of the approach of A. Nandy in which nucleic bases are associated with a walk over integral points of a Cartesian x, y-coordinate system. With a so-generated graphical representation of DNA, we associate a distance/distance matrix, the elements of which are given by the quotient of the Euclidean and the graph theoretical distances, that is, through the space and through the bond distances for pairs of bases of graphical representation of DNA. We use eigenvalues of so-constructed matrices to characterize individual DNA sequences. The eigenvalues are used to construct numerical sequences, which are subsequently used for similarity/dissimilarity analysis. The results of such analysis have been compared and combined with similarity tables based on the frequency of occurrence of pairs of bases.
我们考虑DNA一级序列图形表示的数值特征。特别地,我们基于A. Nandy的方法,考虑包括人类在内的几种物种的β-珠蛋白DNA的图形表示,在该方法中,核酸碱基与笛卡尔x、y坐标系的整点上的行走相关联。对于如此生成的DNA图形表示,我们关联一个距离/距离矩阵,其元素由欧几里得距离与图论距离的商给出,即通过空间以及通过DNA图形表示中碱基对的键距。我们使用如此构建的矩阵的特征值来表征单个DNA序列。这些特征值用于构建数值序列,随后用于相似性/相异性分析。已将这种分析的结果进行比较,并与基于碱基对出现频率的相似性表相结合。