There are several different broad approaches to making correlations between chemical
structure and some desired property or bioactivity (either of which is here spoken of simply …

We calculated 202 molecular descriptors (topological indices, TIs) for two chemical
databases (a set of 139 hydrocarbons and another set of 1037 diverse chemicals). Variable …

v∈ V (G) d (v) ε (v), where ε (v) and d (v) denote the eccentricity and the degree of the vertex
v, respectively. In this paper we derive upper or lower bounds for the connective eccentricity …

A novel highly discriminating adjacency-cum-distance-based topological descriptor, termed
the adjacent eccentric distance sum index, has been conceptualized and its discriminating …

Graph-theoretical applications to chemistry are reviewed from a personal point of view in the
context of the gradual acceptance of the value of such applications by the chemical and …

Two new approaches are presented for the calculation of atom and bond parameters for
heteroatom-containing molecules used in computing graph theoretic invariants. In the first …

AT Balaban and O. Ivanciuc Department of Organic Chemistry, Faculty of Chemical
Technology, University “Politehnica” of Bucharest, Oficiul 12 CP 243, 78100 Bucharest …

A simple highly degenerating, pendenticity based, topological descriptor termed as
superpendentic index has been conceptualized and its discriminating power investigated …

O. Ivanciuc and AT Balaban University “Politehnica” of Bucharest, Department of Organic
Chemistry, Faculty of Industrial Chemistry, Oficiul 12 CP 243, 78100 Bucharest …

The relationship between the topochemical indices and cyclin-dependent kinase 2 (CDK2)
inhibitory activity of indole-2-ones has been investigated. The relationship of topochemical …