Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 2 explores deeper the topics introduced in Volume 1, with numerous additional topics such as topological approaches for classifying fullerene isomers; chemical reaction networks; discrimination of small molecules using topological molecular descriptors; GRANCH methods for the mathematical characterization of DNA, RNA and protein sequences; linear regression methods and Bayesian techniques; in silico toxicity prediction methods; drug design; integration of bioinformatics and systems biology, molecular docking, and molecular dynamics; metalloenzyme models; protein folding models; molecular periodicity; generalized topologies and their applications; and many more. Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology

Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 1 includes chapters on mathematical structural descriptors of molecules and biomolecules, applications of partially ordered sets (posets) in chemistry, optimal characterization of molecular complexity using graph theory, different connectivity matrices and their polynomials, use of 2D fingerprints in similarity-based virtual screening, mathematical approaches to molecular structure generation, comparability graphs, applications of molecular topology in drug design, density functional theory of chemical reactivity, application of mathematical descriptors in the quantification of drug-likeness, utility of pharmacophores in drug design, and much more. Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics Revised 2015 edition includes a new chapter on the current landscape of hierarchical QSAR modelling About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology

"Advances in Mathematical Chemistry and Applications, Volume 1" highlights the emerging discipline of mathematical chemistry, or, more precisely, discrete mathematical chemistry. This Volume is written by internationally renowned experts in the field. It comprises of a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology and ecological health. The contents of this book include chapters on mathematical structural descriptors of molecules and biomolecules, topological representation of molecular structure, connectivity matrices, use of weighted 2D Fingerprints in similarity-based virtual screening and much more. This ebook is a valuable resource for MSc and PhD students, academic personnel and researchers seeking updated and critically important information on the fundamental concepts of mathematical chemistry and their applications.

The philosophy of chemistry has emerged in recent years as a new and autonomous field within the Anglo-American philosophical tradition. With the development of this new discipline, Eric Scerri and Grant Fisher's "Essays in the Philosophy of Chemistry" is a timely and definitive guide to all current thought in this field. This edited volume will serve to map out the distinctive features of the field and its connections to the philosophies of the natural sciences and general philosophy of science more broadly. It will be a reference for students and professional alike. Both the philosophy of chemistry and philosophies of scientific practice alike reflect the splitting of analytical and continental scholastic traditions, and some philosophers are turning for inspiration from the familiar resources of analytical philosophy to influences from the continental tradition and pragmatism. While philosophy of chemistry is practiced very much within the familiar analytical tradition, it is also capable of trail-blazing new philosophical approaches. In such a way, the seemingly disparate disciplines such as the "hard sciences" and philosophy become much more linked.

This book has been Conceptualized specifically for B.Sc. (Honours) according to the New Syllabus prescribed by Andhra Pradesh State Council of Higher Education (APSCHE). The book seamlessly amalgamates the realms of mathematics, physics and chemistry to offer a holistic view of the in connectedness of these sciences and their significance in solving real-world problems. The book is divided in Five Units that are further divided into the chapters. Unit One Advances in Basics Mathematics commences with an exploration of the methods of finding the equations of types of straight lines. It covers concepts such as slope and gradient of a line. The point slope form of a line, Reduction into the intercept form, Limits and Differentiation, Integration & Matrices. Unit Two Advances in Physics encounter Renewable Energy, Quantum Dots and Communication, Recent Advances in Biophysics and Medical Physics, Shape Memory Materials. Unit Three Advances in Chemistry covers the topics such as Computer Aided Drug Design (CADD) and Delivery, Nano sensors and Chemical Biology, Impact of Chemical Pollutants on Ecosystem and Human Health and Shape Memory Materials. Unit Four covers the Applications of Mathematics, Physics and Chemistry. Unit Five Advances of Computer Science covers the important topics such as Number System - Binary, Octal, Decimal, and Hexadecimal, Signals - Analog and Digital, Modem, Codec, Multiplexing, Transmission Media, Error Detection and Correction - Parity Check and CRC, and Networking Devices - Repeater, Hub, Bridge, Switch, Router, Gateway.

Big Data Analytics in Chemoinformatics and Bioinformatics: With Applications to Computer-Aided Drug Design, Cancer Biology, Emerging Pathogens and Computational Toxicology provides an up-to-date presentation of big data analytics methods and their applications in diverse fields. The proper management of big data for decision-making in scientific and social issues is of paramount importance. This book gives researchers the tools they need to solve big data problems in these fields. It begins with a section on general topics that all readers will find useful and continues with specific sections covering a range of interdisciplinary applications. Here, an international team of leading experts review their respective fields and present their latest research findings, with case studies used throughout to analyze and present key information. Brings together the current knowledge on the most important aspects of big data, including analysis using deep learning and fuzzy logic, transparency and data protection, disparate data analytics, and scalability of the big data domain Covers many applications of big data analysis in diverse fields such as chemistry, chemoinformatics, bioinformatics, computer-assisted drug/vaccine design, characterization of emerging pathogens, and environmental protection Highlights the considerable benefits offered by big data analytics to science, in biomedical fields and in industry