Nearest neighboring code and hydrogen bond index in labeled hydrogen-filled graph and graph of atomic orbitals: Application to model of normal boiling points of haloalkanes
Quantitative structure-retention relationship study of gas chromatographic retention indices for halogenated compounds
T. Ivanciuc, and O. Ivanciuc Quantitative structure-retention relationship study of gas chromatographic retention indices for halogenated compounds Internet Electron. J. Mol. Des. 1 2002 94 107 http://www.biochempress. com
QSPR modeling of stability constants of coordination compounds by optimization of correlation weights of local graph invariants
A.P. Toropova, A.A. Toropov, M.M. Ishankhodzhaeva, and N.A. Parpiev QSPR modeling of stability constants of coordination compounds by optimization of correlation weights of local graph invariants Russ. J. Inorg. Chem. 45 7 2000 1057 1059
QSPR modeling of the formation constants for complexes using atomic orbital graphs
A.A. Toropov, and A.P. Toropova QSPR modeling of the formation constants for complexes using atomic orbital graphs Russ. J. Coord. Chem. 26 6 2000 398 405
QSPR modeling of the stability constants of biometal complexes with phosphate derivatives of adenosine
A.A. Toropov, and A.P. Toropova QSPR modeling of the stability constants of biometal complexes with phosphate derivatives of adenosine Russ. J. Coord. Chem. 26 11 2000 792 797
QSPR modeling of stability of complexes of adenosine phosphate derivatives with metals absent from the complexes of the teaching access
A.A. Toropov, and A.P. Toropova QSPR modeling of stability of complexes of adenosine phosphate derivatives with metals absent from the complexes of the teaching access Russ. J. Coord. Chem. 27 8 2001 574 578
Modeling of lipophilicity by means of correlation weighting of local graph invariants
A.A. Toropov, and A.P. Toropova Modeling of lipophilicity by means of correlation weighting of local graph invariants J. Mol. Struct. (Theochem) 538 2001 197 199
Prediction of heteroaromatic amine mutagenicity by means of correlation weighting of atomic orbital graphs of local invariants
A.A. Toropov, and A.P. Toropova Prediction of heteroaromatic amine mutagenicity by means of correlation weighting of atomic orbital graphs of local invariants J. Mol. Struct. (Theochem) 538 2001 287 293
Using of optimization of local graph invariants correlation weights for QSPR simulation of crystal lattice energies
A.P. Toropova, and A.A. Toropov Using of optimization of local graph invariants correlation weights for QSPR simulation of crystal lattice energies Russ. J. Struct. Chem. 42 6 2001 1230 1232
QSPR modeling of complex stability by optimization of correlation weights of the hydrogen bond index and the local graph invariants
A.A. Toropov, and A.P. Toropova QSPR modeling of complex stability by optimization of correlation weights of the hydrogen bond index and the local graph invariants Russ. J. Coord. Chem. 28 12 2002 877 880
QSAR modeling of toxicity on optimization of correlation weights of Morgan extended connectivity
A.A. Toropov, and A.P. Toropova QSAR modeling of toxicity on optimization of correlation weights of Morgan extended connectivity J. Mol. Struct. (Theochem) 578 2002 129 134
Modeling of acyclic carbonyl compounds normal boiling points by correlation weighting of nearest neighboring codes
A.A. Toropov, and A.P. Toropova Modeling of acyclic carbonyl compounds normal boiling points by correlation weighting of nearest neighboring codes J. Mol. Struct. (Theochem) 581 2002 11 15
Comparison of QSAR models of anti-HIV-1 potencies based on labeled hydrogen filled graph and graph of atomic orbitals
A.A. Toropov, A.P. Toropova, I.V. Nesterov, and O.M. Nabiev Comparison of QSAR models of anti-HIV-1 potencies based on labeled hydrogen filled graph and graph of atomic orbitals J. Mol. Struct. (Theochem) 640 2003 175 181
Prediction of aquatic toxicity: Use of the optimization of correlation weights of local graph invariants
A.A. Toropov, and T.W. Schultz Prediction of aquatic toxicity: use of the optimization of correlation weights of local graph invariants J. Chem. Inf. Comput. Sci. 43 2 2003 560 567
Prediction of alkane enthalpies by means of correlation weighting of Morgan extended connectivity in molecular graphs
A.A. Toropov, A.P. Toropova, A.I. Nesterova, and O.M. Nabiev Prediction of alkane enthalpies by means of correlation weighting of Morgan extended connectivity in molecular graphs Chem. Phys. Lett. 384 2004 357 363
QSPR modeling of lipid-water partition coefficient by optimization of correlation weights of local graph invariants
A.A. Toropov, and K. Roy QSPR modeling of lipid-water partition coefficient by optimization of correlation weights of local graph invariants J. Chem. Inf. Comput. Sci. 44 2004 179 186
Hydrogen bonding parameters for QSAR: Comparison of indicator variables, hydrogen bond counts, molecular orbital and other parameters
J.C. Dearden, and T. Ghafourian Hydrogen bonding parameters for QSAR: comparison of indicator variables, hydrogen bond counts, molecular orbital and other parameters J. Chem. Inf. Comput. Sci. 39 1999 231 235
On molecular polarizability: 2. Relationship to the boiling point of alkane and alcohols
C. Cao, S. Liu, and Z. Li On molecular polarizability: 2. Relationship to the boiling point of alkane and alcohols J. Chem. Inf. Comput. Sci. 39 1999 1105 1111
Normal boiling points of 1,ω-alkanedinitriles: The highest increment in homologous series
A.T. Balaban, S.C. Basak, and D. Mills Normal boiling points of 1,ω-alkanedinitriles: the highest increment in homologous series J. Chem. Inf. Comput. Sci. 39 1999 769 774
Correlation between structure and normal boiling points of acyclic carbonyl compounds
A.T. Balaban, D. Mills, and S.C. Basak Correlation between structure and normal boiling points of acyclic carbonyl compounds J. Chem. Inf. Comput. Sci. 39 1999 758 764
Estimation of normal boiling points of haloalkanes using molecular similarity
S.C. Basak, B.D. Gute, and G.D. Grunwald Estimation of normal boiling points of haloalkanes using molecular similarity Croatia Chim. Acta 69 1996 1159 1173