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Иш: Prediction of alkane enthalpies by means of correlation weighting of Morgan extended connectivity in molecular graphs

Сарлавҳасиз
Бошқа1117 иқтибос
ABI
Prediction of Aquatic Toxicity: Use of Optimization of Correlation Weights of Local Graph Invariants
Andrey A. Toropov, T.W. Schultz
Мақола200310 иқтибос
ABI
Modeling of acyclic carbonyl compounds normal boiling points by correlation weighting of nearest neighboring codes
Andrey A. Toropov, Alla P. Toropova
Мақола20029 иқтибос
ABI
Optimal characterization of structure for prediction of properties
Subhash C. Basak, Gerald J. Niemi, Gilman D. Veith
Мақола19909 иқтибос
ABI
Prediction of heteroaromatic amine mutagenicity by means of correlation weighting of atomic orbital graphs of local invariants
Andrey A. Toropov, Alla P. Toropova
Мақола20018 иқтибос
ABI
Improved QSPR analysis of standard entropy of acyclic and aromatic compounds using optimized correlation weights of linear graph invariants
Pablo R. Duchowicz, Eduardo A. Castro, Andrey A. Toropov
Мақола20028 иқтибос
ABI
QSPR modeling of the enthalpy of formation from elements by means of correlation weighting of local invariants of atomic orbital molecular graphs
Andrés Mercader, Eduardo A. Castro, Andrey A. Toropov
Мақола20008 иқтибос
ABI
Improved molecular descriptors to calculate boiling points based on the optimization of correlation weights of local graph invariants
Germán Krenkel
Мақола20017 иқтибос
ABI
Improved Molecular Descriptors Based on the Optimization of Correlation Weights of Local Graph Invariants
Germán Krenkel, Eduardo A. Castro, Andrey A. Toropov
Мақола20017 иқтибос
ABI
QSAR modeling of toxicity on optimization of correlation weights of Morgan extended connectivity
Andrey A. Toropov, Alla P. Toropova
Мақола20026 иқтибос
ABI
Modeling of lipophilicity by means of correlation weighting of local graph invariants
Andrey A. Toropov, Alla P. Toropova
Мақола20016 иқтибос
ABI
Calculation of total molecular electronic energies from Correlation Weighting of Local Graph Invariants
Andrés Mercader, Eduardo A. Castro, Andrey A. Toropov
Мақола19996 иқтибос
ABI
Structure–Toxicity Relationships for Aliphatic Compounds Based on Correlation Weighting of Local Graph Invariants
Andrey A. Toropov, Pablo R. Duchowicz, Eduardo A. Castro
Мақола20036 иқтибос
ABI
Calculation of pK values of flavylium salts from the optimization of correlation weights of local graph invariants
Pablo J. Peruzzo, Damián Marino, Eduardo A. Castro +1
Мақола20015 иқтибос
ABI
Using Correlation Weight Optimization of the Local Invariants of Graphs for QSPR Simulation of Crystal Lattice Energy
Alla P. Toropova, Andrey A. Toropov
Мақола20014 иқтибос
ABI
QSPR Modeling of Stability of Complexes of Adenosine Phosphate Derivatives with Metals Absent from the Complexes of the Teaching Access
Andrey A. Toropov, Alla P. Toropova
Мақола20014 иқтибос
ABI
QSAR modeling of dihydrofolate reductase inhibitory activity by correlation weighting of nearest neighboring codes
Andrey A. Toropov, I.V. Nesterov, Ozad M. Nabiev
Мақола20034 иқтибос
ABI
Correlation between Structure and Normal Boiling Points of Acyclic Carbonyl Compounds
Alexandrù T. Balaban, Denise Mills, Subhash C. Basak
Мақола19994 иқтибос
ABI
QSPR Modeling of Stability Constants of Coordination Compounds by Optimization of Correlation Weights of Local Graph Invariants
Alla P. Toropova, Andrey A. Toropov, M. M. Ishankhodzhaeva +1
МақолаComputational Drug Discovery MethodsRussian Journal of Inorganic Chemistry20004 иқтибос
ABI
3D and 4D molecular models derived from the ideal symmetry method: prediction of alkanes normal boiling points
Germán Krenkel, Eduardo A. Castro, Andrey A. Toropov
Мақола20024 иқтибос
ABI
Maximum topological distances based indices as molecular descriptors for QSPR
Eduardo A. Castro, Matias Jorge Tueros, Andrey A. Toropov
Мақола20004 иқтибос
ABI
3D weighting of molecular descriptors for QSPR/QSAR by the method of ideal symmetry (MIS). 1. Application to boiling points of alkanes
Andrey A. Toropov, Alla P. Toropova, Т. Т. Исмаилов +1
МақолаComputational Drug Discovery MethodsJournal of Molecular Structure THEOCHEM19984 иқтибос
ABI
QSPR Modeling of Complex Stability by Optimization of Correlation Weights of the Hydrogen Bond Index and the Local Graph Invariants
Andrey A. Toropov, Alla P. Toropova
Мақола20023 иқтибос
ABI
Maximum topological distances based indices as molecular descriptors for QSPR. Part 1. Application to alkyl benzenes boiling points
Mariano Firpo, Luciana Gavernet, Eduardo A. Castro +1
Мақола20003 иқтибос
ABI
Engineering optimization: Methods and applications
Мақола19842 иқтибос
ABI