Molecular descriptors in QSAR/QSPR

By M. Karelson. 2000

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Bond Additive Modeling 2. Mathematical Properties of Max-min Rodeg Index (2010, unknown): “Mm G                                        which is in contradiction with (4).”
A Survey on Graphs Extremal with Respect to Distance-Based Topological Indices (2014, background): “It found numerous applications for designing quantitative structure–property relationships (QSPR) [28] [93].”
Multiplicative Versions of First Zagreb Index (2012, unknown): “(see [2, 3, 7–9, 13, 16, 17]).”
In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling (2007, background): “The number and type of molecular descriptors is large and varied (Karelson, 2000; Todeschini and Consonni, 2000) and thus procedures to select those that are most relevant for modelling the biological effect of interest are extremely important (Walters and Goldman, 2005).”
Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs. (2003, unknown): “It has been estimated that more than 3,000 molecular descriptors are now available, and most of them are summarized and explained in recently published books (Devillers and Balaban 1999; Karelson 2000; Todeschini and Consonni 2000).”