ChemInformatics

Structure-property relationships are qualitative or quantitative empirically defined relationships between molecular structure and observed properties. In some cases this may seem to duplicate statistical mechanical results, however structure-property relationships need not be based on any rigorous theoretical principles.

The simplest case of structure-property relationships are qualitative thumb rules. For example, an experienced polymer chemist may be able to predict whether a polymer will be soft or brittle based on the geometry and bonding of the monomers.

When structure-property relationships are mentioned in current literature, it usually implies a quantitative mathematical relationship. These relationships are most often derived by using curve fitting software to find the linear combination of molecular properties, which best reproduces the desired property. The molecular properties are usually obtained from molecular modeling computations. Other molecular descriptors such as molecular weight or topological descriptions are also used.............

This book has been written for the Medical/Pharmacy/Nursing/ME/M.TECH/BE/B.Tech students of All University with latest syllabus for ECE, EEE, CSE, IT, Mechanical, Bio Medical, Bio Tech, BCA, MCA and All B.Sc Department Students.

The basic aim of this book is to provide a basic knowledge in ChemInformatics.

ChemInformatics Syllabus students of degree, diploma & AMIE courses and a useful reference for these preparing for competitive examinations.

All the concepts are explained in a simple, clear and complete manner to achieve progressive learning.

This book is divided into five chapters. Each chapter is well supported with the necessary illustration practical examples.

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