Quality testing of distance-based molecular descriptors for benzenoid hydrocarbons
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DOI: 10.1016/j.molstruc.2020.128927
Abstract: Abstract In this paper, we investigate the prediction power of all the well-known distance-based molecular structure descriptors in the literature for 22 lower polycyclic aromatic hydrocarbons (PAHs). The standard enthalpy/heat of formation is chosen to… read more here.
Keywords: distance based; distance; based molecular; testing distance ... See more keywords