From Molecular Connectivity Indices to Semiempirical Connectivity Terms:  Recent Trends in Graph Theoretical Descriptors

Degree-Based Topological Indices

“…Randić himself wrote two reviews on his index, 22,23 and there are three more. [24][25][26] The suitability of the Randić index for drug design was immediately recognized, 15,16 and eventually the index was used for this purpose on countless occasion. The physical reason for the success of such a simple graph invariant is still an enigma, although several more-or-less plausible explanations were offered.…”

QSAR study on murine recombinant isozyme mCAXIII: topological vs structural descriptors

“…The R 2 pred value based on the combination of both the types if descriptors was found to be 0.9614.Once again we observed that topological indices exhibit better predictive power compared to structural descriptors. The predictive power is further confirmed by calculating Pogliani's quality factor (Q) [41][42][43] . The Q values are reported under each of the proposed models indicating that the predictive power goes on increasing as we go from mono-to tetra-parametric models and is highest for the latter.…”

QSAR studies of some anilinoquinolines for their antitumor activity as EGFR inhibitors

“…All the statistically significant models along with their quality have been summarized in table 4. This table also includes the values of Poglianis quality factor Q [20][21][22], which is the ratio of R and Se (Q = R/Se).…”