# Advances in Mathematical Chemistry and Applications

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- Author : Subhash C. Basak
- Publisher : Elsevier
- Release : 11 February 2016
- ISBN : 9781681081977
- Page : 376 pages
- Rating : 4.5/5 from 103 voters

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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:

- Author : Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces
- Publisher : Elsevier
- Release Date : 2016-02-11
- ISBN : 9781681081977

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

### Advances in Mathematical Chemistry and Applications:

- Author : Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces
- Publisher : Elsevier
- Release Date : 2016-02-11
- ISBN : 9781681080529

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

### Essays in the Philosophy of Chemistry

- Author : Eric Scerri,Grant Fisher
- Publisher : Oxford University Press
- Release Date : 2016-04-18
- ISBN : 9780190494605

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

### Advances in Mathematical Chemistry and Applications

- Author : Subhash C. Basak,Guillermo Restrepo,José L. Villaveces
- Publisher : Bentham Science Publishers
- Release Date : 2015-07-02
- ISBN : 9781681080529

“Advances in Mathematical Chemistry and Applications, Volume 2” highlights the emerging discipline of mathematical chemistry, or, more precisely, discrete mathematical chemistry. This volume is written by internationally renowned experts in their respective fields and comprises of the wise integration of mathematical and chemical concepts which provide essential mathematical chemistry knowledge and cover 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

### Big Data Analytics in Chemoinformatics and Bioinformatics

- Author : Subhash C. Basak,Marjan Vračko
- Publisher : Elsevier
- Release Date : 2022-12-09
- ISBN : 9780323857147

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

### Systems Biology Application in Synthetic Biology

- Author : Shailza Singh
- Publisher : Springer
- Release Date : 2016-09-08
- ISBN : 9788132228097

This book introduces students to methods that will help them understand behaviour in terms of cellular components and their interactions in non-intuitive ways, which calls for an interdisciplinary approach combining mathematical, chemical, computational and biological strategies. Tibor Ganti was one of the early pioneers who proposed a theoretical framework to understand living principles in terms of chemical transformation cycles and their coupling. The twenty-first century then brought with it a novel ‘systems’ paradigm, which shone new light on all previous

### Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology

- Author : Alexander V. Glushkov,Olga Yu. Khetselius,Jean Maruani,Erkki Brändas
- Publisher : Springer Nature
- Release Date : 2021-06-29
- ISBN : 9783030683146

This book reviews the most significant advances in concepts, methods, and applications of quantum systems in a broad variety of problems in modern chemistry, physics, and biology. In particular, it discusses atomic, molecular, and solid structure, dynamics and spectroscopy, relativistic and correlation effects in quantum chemistry, topics of computational chemistry, physics and biology, as well as applications of theoretical chemistry and physics in advanced molecular and nano-materials and biochemical systems. The book contains peer-reviewed contributions written by leading experts in

### Advanced Calculus Explored

- Author : Anonim
- Publisher : Unknown
- Release Date : 2019-11-29
- ISBN : 0578616823

### Advances in Carbon Research and Application: 2011 Edition

- Author : Anonim
- Publisher : ScholarlyEditions
- Release Date : 2012-01-09
- ISBN : 9781464921216

Advances in Carbon Research and Application: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Carbon. The editors have built Advances in Carbon Research and Application: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Carbon in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Advances in Carbon Research and Application: 2011 Edition has been produced

### Advanced Concepts and Applications

- Author : Fidele Ntie-Kang
- Publisher : Walter de Gruyter GmbH & Co KG
- Release Date : 2021-11-22
- ISBN : 9783110668896

Vol. 2 of Chemoinformatics of Natural Products introduces the reader to the currently available tools for toxicity prediction, drug property prediction, an enumeration of compounds, scaffolds and functional groups in nature, computational methods for lead identification, metabolite biosynthesis, etc. Selected case studies and hands-on tutorial exercises have been included.

### Mathematical Challenges from Theoretical/Computational Chemistry

- Author : National Research Council,Division on Engineering and Physical Sciences,Commission on Physical Sciences, Mathematics, and Applications,Committee on Mathematical Challenges from Computational Chemistry
- Publisher : National Academies Press
- Release Date : 1995-03-29
- ISBN : 030917662X

Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities

### Mathematical Challenges from Theoretical/Computational Chemistry

- Author : Committee on Mathematical Challenges from Computational Chemistry,Commission on Physical Sciences, Mathematics, and Applications,Division on Engineering and Physical Sciences,National Research Council
- Publisher : National Academies Press
- Release Date : 1995-04-12
- ISBN : 9780309560641

Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities

### Advances in Mathematical Inequalities

- Author : Shigeru Furuichi
- Publisher : Walter de Gruyter GmbH & Co KG
- Release Date : 2020-02-10
- ISBN : 9783110643640

Mathematical inequalities are essential tools in mathematics, natural science and engineering. This book gives an overview on recent advances. Some generalizations and improvements for the classical and well-known inequalities are described. They will be applied and further developed in many fields. Applications of the inequalities to entropy theory and quantum physics are also included.

### Science

- Author : John Michels (Journalist)
- Publisher : Unknown
- Release Date : 1901
- ISBN : HARVARD:32044102975869

Since Jan. 1901 the official proceedings and most of the papers of the American Association for the Advancement of Science have been included in Science.

### Mathematical Physics in Theoretical Chemistry

- Author : S. M. Blinder,J. E. House
- Publisher : Elsevier
- Release Date : 2018-11-26
- ISBN : 9780128137017

Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the Developments in Physical & Theoretical Chemistry series, this volume further highlights the major advances and developments in research, also serving as a basis for advanced study. With a multidisciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both