Wiener-Hosoya Index - A Novel Graph Theoretical Molecular Descriptor
暂无分享,去创建一个
[1] M. Randic,et al. On Characterization of the CC Double Bond in Alkenes , 1999 .
[2] Jan Cz. Dobrowolski,et al. Optimal molecular connectivity descriptors for nitrogen-containing molecules , 1998 .
[3] Milan Randic,et al. Optimal Molecular Descriptors Based on Weighted Path Numbers , 1999, J. Chem. Inf. Comput. Sci..
[4] Davor Juretic,et al. The Structure-Property Models Can Be Improved Using the Orthogonalized Descriptors , 1995, J. Chem. Inf. Comput. Sci..
[5] D. W. Scott. Correlation of the chemical thermodynamic properties of alkane hydrocarbons , 1974 .
[6] M. Randic. Characterization of molecular branching , 1975 .
[7] A. Balaban. Highly discriminating distance-based topological index , 1982 .
[8] Haruo Hosoya,et al. Graphical enumeration of the coefficients of the secular polynomials of the Hückel molecular orbitals , 1972 .
[9] Milan Randić. Hosoya Matrix - A Source of New Molecular Descriptors , 1994 .
[10] Milan Randić,et al. Correlation of enthalphy of octanes with orthogonal connectivity indices , 1991 .
[11] Milan Randic,et al. Resolution of ambiguities in structure-property studies by use of orthogonal descriptors , 1991, J. Chem. Inf. Comput. Sci..
[12] Milan Randic,et al. The Variable Connectivity Index 1f versus the Traditional Molecular Descriptors: A Comparative Study of 1f Against Descriptors of CODESSA , 2001, J. Chem. Inf. Comput. Sci..
[13] Milan Randic,et al. Construction of High-Quality Structure-Property-Activity Regressions: The Boiling Points of Sulfides , 2000, J. Chem. Inf. Comput. Sci..
[14] P. Seybold,et al. Molecular modeling of the physical properties of the alkanes , 1988 .
[15] Milan Randic,et al. The Variable Molecular Descriptors Based on Distance Related Matrices , 2001, J. Chem. Inf. Comput. Sci..
[16] J. Platt. Prediction of Isomeric Differences in Paraffin Properties , 1952 .
[17] M. Randic. On computation of optimal parameters for multivariate analysis of structure‐property relationship , 1991 .
[18] A. Balaban. Topological indices and their uses: A new approach for the coding of alkanes , 1988 .
[19] H. Hosoya. Topological Index. A Newly Proposed Quantity Characterizing the Topological Nature of Structural Isomers of Saturated Hydrocarbons , 1971 .
[20] Milan Randić,et al. Comparative Regression Analysis. Regressions Based on a Single Descriptor , 1993 .
[21] Onn Chan,et al. Wiener Number as an Immanant of the Laplacian of Molecular Graphs , 1997, J. Chem. Inf. Comput. Sci..
[22] M. Randic. Novel graph theoretical approach to heteroatoms in quantitative structure—activity relationships , 1991 .
[23] Milan Randic,et al. Orthogonal molecular descriptors , 1991 .
[24] Subhash C. Basak,et al. On characterization of physical properties of amino acids , 2000 .
[25] Milan Randic,et al. Variable Connectivity Index for Cycle-Containing Structures , 2001, J. Chem. Inf. Comput. Sci..
[26] Manuel Garbalena,et al. Optimum graph-theoretical models for enthalpic properties of alkanes , 1992, J. Chem. Inf. Comput. Sci..
[27] Milan Randić,et al. Generalized molecular descriptors , 1991 .
[28] Milan Randic,et al. Novel Shape Descriptors for Molecular Graphs , 2001, J. Chem. Inf. Comput. Sci..
[29] N. Trinajstic,et al. Information theory, distance matrix, and molecular branching , 1977 .
[30] Milan Randić,et al. High quality structure–property regressions. Boiling points of smaller alkanes , 2000 .
[31] M. Randic. Novel molecular descriptor for structure—property studies , 1993 .
[32] Milan Randic,et al. On Use of the Variable Connectivity Index 1f in QSAR: Toxicity of Aliphatic Ethers , 2001, J. Chem. Inf. Comput. Sci..
[33] H. Wiener. Structural determination of paraffin boiling points. , 1947, Journal of the American Chemical Society.
[34] Milan Randic,et al. Wiener Matrix Invariants , 1994, Journal of chemical information and computer sciences.
[35] Haruo Hosoya,et al. Topological Index and Thermodynamic Properties. I. Empirical Rules on the Boiling Point of Saturated Hydrocarbons , 1972 .
[36] Alan R. Katritzky,et al. A New Efficient Approach for Variable Selection Based on Multiregression: Prediction of Gas Chromatographic Retention Times and Response Factors , 1999, J. Chem. Inf. Comput. Sci..