Computing distance-based topological descriptors of complex chemical networks: New theoretical techniques

摘要

Graphical abstractDisplay OmittedHighlights?A computational technique for certain topological descriptors is presented.?It generalizes a previous technique from chemical graphs to general graphs.?It is more diverse in computing distance-based descriptors.?It bears relatively less algorithmic complexity.?We apply our technique to an infinite family of fullerenes.AbstractStructure-based topological descriptors/indices of complex chemical networks enable prediction of physico-chemical properties and the bioactivi