# Contents^{*}

* Only original contributions are detailed
**Preliminaries** (p. 5)
**Elements of Graph Theory** (p. 10)
**Molecular Graphs and Chemical Data Format** (p. 21)
- Processing Data from HIN Files
- Objecting. Atom Object and Molecule Object

**Squared Topological Matrices** (p. 29)
- CF Matrix

- Shultz Modified Operations

*Sequence Matrices. Similarity in Graphs* (p. 41)
- Terminal Paths
- Sequence Matrices. Lexicographic Ordering
- Criteria and Class of Equivalence
- Similarity Studies though Sequence Matrices
- Graphs Vertices Coloring
- Theoretical Results (Theorems)

*Fragmentation Criteria. Fragments* (p. 58)
- CF criteria

- CF-CJ-SZ Comparision
- MA and MI criteria. Fragments
- Graphs Edges Coloring
- Theoretical Results (Theorems)

**Elements of Statistics** (p. 72)
- Linear Models
- Case of Multiple Linear Model
- Regression Models Different from Linear One
- Reductions to Linear Models

- Statistics in Chemistry

**3D Reprezentations and Applications** (p. 95)
- Representations through 3D Maps
- Overlapping Methods
- Applications

**Substituent Descriptors Averaging** (p. 101)
- Case Study at Herbicide Activity of Triazines

**Szeged Indices in Molar Refraction and Chromatographic Retention Modeling** (p. 104)
- Molar Refraction Modeling
- Chromatographic Retention Modeling

**Fragmental Property Matrices and Indices** (p. 107)
- Introduction
- Own Research
- Fragmentation Methods. Formulas for Fragments Generation
- Fragmental Property Models
- Matrices and Indices of Fragmental Property
- Complete Description of Some Partiucular Models of Fragmental Property
- Degeneration of Models. Computational Techniques

**Correlation Validation of FPIF at Substituded 3-(Phtalimidoalkyl)-Pyrazolin-5-Ones Class** (p. 133)
- Validation of Quantum Nature of FPIF
- Validation of Prediction Power for Biological Activity of FPIF
- Validation of Discriminating Power of FPIF
- Conclusions

**Correlation Validation of FPIF at a Class of 58 Dipeptides** (p. 150)
- Validation of Quantum Nature of FPIF
- Validation of Prediction Power for Biological Activity of FPIF
- Validation of Discriminating Power of FPIF
- Conclusions

**Conclusions for FPIF** (p. 171)