Covalent organic frameworks: topological characterizations, spectral patterns and graph entropies

On comparative analysis of graph entropies of symmetrical carbon nanotube Y-junctions

“…Raza et al investigated the topological entropy characterization of coronene-based transition metal organic frameworks (MOFs) [26]. Arockiaraj et al delved into the topological characterizations of covalent organic frameworks (COFs), on their spectral patterns and graph entropies [27].…”

Machine learning of isomerization in porous molecular frameworks: exploring functional group pair distance distributions

“…[35][36][37][38] The final class of descriptors employed for M/COFs are topological descriptors that aim to describe the pore connectivity over multiple length scales. [39][40][41][42] To develop our descriptor, we consider the fact that hostguest interactions occur mainly by the influence of local interaction, thereby only including a small effect from the linkers in adjacent pores. In addition, while there are 2941 3D topologies (nets) reported in the RCSR database 43 to date, they consist of repeating a limited number of pore shapes, such as cubic, tetrahedral, octahedral, square antiprism and cuboctahedral.…”

“…35–38 The final class of descriptors employed for M/COFs are topological descriptors that aim to describe the pore connectivity over multiple length scales. 39–42…”