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25 results on '"Ovidiu Ivanciuc"'

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1. An Allergen Portrait Gallery: Representative Structures and an Overview of IgE Binding Surfaces

2. Combinatorics of Reaction-Network Posets

3. Prediction of Environmental Properties for Chlorophenols with Posetic Quantitative Super-Structure/Property Relationships (QSSPR)

4. Data mining of sequences and 3D structures of allergenic proteins

5. Computing Wiener-Type Indices for Virtual Combinatorial Libraries Generated from Heteroatom-Containing Building Blocks

6. Identification of Groupings of Graph Theoretical Molecular Descriptors Using a Hybrid Cluster Analysis Approach

7. Comparison of Weighting Schemes for Molecular Graph Descriptors: Application in Quantitative Structure−Retention Relationship Models for Alkylphenols in Gas−Liquid Chromatography

8. Quasi-orthogonal Basis Sets of Molecular Graph Descriptors as a Chemical Diversity Measure

9. 13C NMR Chemical Shift Prediction of the sp3 Carbon Atoms in the α Position Relative to the Double Bond in Acyclic Alkenes

10. Degeneracy of Topologic Distance Descriptors for Cubic Molecular Graphs: Examples of Small Fullerenes

11. Determination of Topo-Geometrical Equivalence Classes of Atoms

12. Determination of Topological Equivalence Classes of Atoms and Bonds in C20−C60 Fullerenes Using a New Prolog Coding Program

13. 13C NMR Chemical Shift Prediction of sp2 Carbon Atoms in Acyclic Alkenes Using Neural Networks

14. Four new topological indices based on the molecular path code

15. Posetic quantitative superstructure/activity relationships (QSSARs) for chlorobenzenes

16. HyperNMR for Windows

17. ChemPlus for Windows

19. Wiener index extension by counting even/odd graph distances

20. Evaluation in quantitative structure--property relationship models of structural descriptors derived from information-theory operators

21. QSAR comparative study of Wiener descriptors for weighted molecular graphs

25. Estimation of the liquid viscosity of organic compounds with a quantitative structure-property model

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