Deep learning bears promise for drug discovery, including advanced image analysis,
prediction of molecular structure and function, and automated generation of innovative …

3454 Chemical Reviews, 2003, Vol. 103, No. 9 Randic will show that graph theoretically
calculated ring resonance energies in benzenoid hydrocarbons (that parallel Clar's notion of …

A numeric quantity that characterizes the whole structure of a network is called a topological
index. In the studies of QSAR and QSPR, the topological indices are utilized to predict the …

The search for alien life is hard because we do not know what signatures are unique to life.
We show why complex molecules found in high abundance are universal biosignatures and …

New Edition! Completely Revised and UpdatedChemical Graph Theory, 2nd Edition is a
completely revised and updated edition of a highly regarded book that has been widely …

Abstract In 1971, Graham and Pollack established a relationship between the number of
negative eigenvalues of the distance matrix and the addressing problem in data …

The Wiener index W is the sum of distances between all pairs of vertices of a (connected)
graph. The paper outlines the results known for W of trees: methods for computation of W …

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 …

A new topological indexJ (based on distance sumss i as graph invariants) is proposed. For
unsaturated or aromatic compounds, fractional bond orders are used in calculatings i. The …

This survey seeks to describe methods for measuring the entropy of graphs and to
demonstrate the wide applicability of entropy measures. Setting the scene with a review of …