Institute for Bioinformatics and Translational Research, Private Universität für Medizinische Informatik und Technik (UMIT), Hall in Tirol, Austria.
PLoS One. 2010 Jul 30;5(7):e11393. doi: 10.1371/journal.pone.0011393.
In this paper, we introduce a novel graph polynomial called the 'information polynomial' of a graph. This graph polynomial can be derived by using a probability distribution of the vertex set. By using the zeros of the obtained polynomial, we additionally define some novel spectral descriptors. Compared with those based on computing the ordinary characteristic polynomial of a graph, we perform a numerical study using real chemical databases. We obtain that the novel descriptors do have a high discrimination power.
在本文中，我们引入了一种新的图多项式，称为图的“信息多项式”。这种图多项式可以通过使用顶点集的概率分布来推导。通过使用所得多项式的零点，我们还定义了一些新的谱描述符。与基于计算图的普通特征多项式的方法相比，我们使用真实的化学数据库进行了数值研究。我们得到的新描述符确实具有很高的辨别力。
