Contents*

* Only original contributions are detailed
  1. Preliminaries (p. 5)
  2. Elements of Graph Theory (p. 10)
  3. Molecular Graphs and Chemical Data Format (p. 21)
    1. Processing Data from HIN Files
    2. Objecting. Atom Object and Molecule Object
  4. Squared Topological Matrices (p. 29)
    1. CF Matrix
    1. Shultz Modified Operations
  5. Sequence Matrices. Similarity in Graphs (p. 41)
    1. Terminal Paths
    2. Sequence Matrices. Lexicographic Ordering
    3. Criteria and Class of Equivalence
    4. Similarity Studies though Sequence Matrices
    5. Graphs Vertices Coloring
    6. Theoretical Results (Theorems)
  6. Fragmentation Criteria. Fragments (p. 58)
    1. CF criteria
    1. CF-CJ-SZ Comparision
    2. MA and MI criteria. Fragments
    3. Graphs Edges Coloring
    4. Theoretical Results (Theorems)
  7. Elements of Statistics (p. 72)
    1. Linear Models
    2. Case of Multiple Linear Model
    3. Regression Models Different from Linear One
    4. Reductions to Linear Models
    1. Statistics in Chemistry
  8. 3D Reprezentations and Applications (p. 95)
    1. Representations through 3D Maps
    2. Overlapping Methods
    3. Applications
  9. Substituent Descriptors Averaging (p. 101)
    1. Case Study at Herbicide Activity of Triazines
  10. Szeged Indices in Molar Refraction and Chromatographic Retention Modeling (p. 104)
    1. Molar Refraction Modeling
    2. Chromatographic Retention Modeling
  11. Fragmental Property Matrices and Indices (p. 107)
    1. Introduction
    2. Own Research
    3. Fragmentation Methods. Formulas for Fragments Generation
    4. Fragmental Property Models
    5. Matrices and Indices of Fragmental Property
    6. Complete Description of Some Partiucular Models of Fragmental Property
    7. Degeneration of Models. Computational Techniques
  12. Correlation Validation of FPIF at Substituded 3-(Phtalimidoalkyl)-Pyrazolin-5-Ones Class (p. 133)
    1. Validation of Quantum Nature of FPIF
    2. Validation of Prediction Power for Biological Activity of FPIF
    3. Validation of Discriminating Power of FPIF
    4. Conclusions
  13. Correlation Validation of FPIF at a Class of 58 Dipeptides (p. 150)
    1. Validation of Quantum Nature of FPIF
    2. Validation of Prediction Power for Biological Activity of FPIF
    3. Validation of Discriminating Power of FPIF
    4. Conclusions
  14. Conclusions for FPIF (p. 171)