Discrete Mathematics Applied to Qsar and Beyond (Hardcover, New)

Introduction

Chemical Bond and Quantum Chemistry

Chemical Structure and Discrete Mathematics

Molecules: World of Diversity

Saturated Chemical Bond

Benzene Aromatic Compounds

Flexible and Fluxional Structures

Molecular Polymorphism

Fullerenes

Amino Acids - Life

Structure-Property Relationship

Elementary Molecular Descriptors

Search for Regularity in Experimental Data

Partial Ordering

Molecular Descriptors

Ad Hoc Molecular Descriptors

Connectivity Indices

Characterization of Hetero-Atoms

Discrete Mathematics in Chemistry

Graphs and Graph Theory

Graph Invariants

Matrices

Chemical Enumerations

Isomorphism of Graphs

Automorphism of Graphs

Library of Molecular Descriptors

Bond Additive Topological Indices

Distance-Based Topological Indices

Molecular Descriptors Forming the Basis of Structure-Space on Interpretation of Molecular Descriptors

Multivariate Regression Equation

On Interpretation of Regression Equations

Orthogonal Molecular Descriptors

Retro-Regression

Variable Molecular Descriptors

Variable Connectivity Index

Connectivity and Anti -Connectivity

Molecular Similarity

Similarity metrics

Orthosimilarity

SAR and QSAR

Pharmacophore

Search for unknown pharamacophore

Novel Uses of Molecular Descriptors

Bioinformatics

DNA

RNA

Graphical Representation of DNA

Non Graphical Representation of DNA

Numerical Characterization of DNA

Graphical Representation of Secondary Structure of DNA

Proteins

Graphical Representation of Proteins

N on Graphical Representation of Proteins

Numerical Characterization of Proteins

Amino Acid Adjacency Matrix

Alignment

DNA Alignment

Protein Alignment

Proteome

Numerical Characterization of Proteomics Maps

Dose-Response Curve

Literature