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Vol 7, No 6 (2012) Modelling the relation between the structure and physicochemical properties of organic compounds on the basis of optimal atomic parameters Abstract  similar documents
Ya. Ya. Yakovenko, M. I. Skvortsova, N. A. Mikhailova
"... represented as weighted molecular graphs is suggested. It is based on the selection of optimal weights ..."
 
Vol 15, No 6 (2020) Structure–property models of organic compounds based on molecular graphs with elements of the spatial structures of the molecules Abstract  PDF (Eng)  similar documents
N. A. Shulaeva, M. I. Skvortsova, N. A. Mikhailova
"... structures in this method, the special weighted molecular graphs (MGs) that reflect some peculiarities ..."
 
Vol 8, No 5 (2013) ESTIMATION OF PROTONATION ABILITY OF SOME ORGANIC BASES BY THEIR STRUCTURAL FORMULAE Abstract  similar documents
R. A. Osipov, N. S. Rukk, M. I. Skvortsova, V. V. Zamalyutin, A. Yu. Skryabina
"... these models. Molecular descriptors have been selected from some set of topological molecular parameters ..."
 
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