Handbook of Chemoinformatics Algorithms

Handbook of Chemoinformatics Algorithms
Author :
Publisher : CRC Press
Total Pages : 454
Release :
ISBN-10 : 9781420082999
ISBN-13 : 142008299X
Rating : 4/5 (99 Downloads)

Synopsis Handbook of Chemoinformatics Algorithms by : Jean-Loup Faulon

Unlike in the related area of bioinformatics, few books currently exist that document the techniques, tools, and algorithms of chemoinformatics. Bringing together worldwide experts in the field, the Handbook of Chemoinformatics Algorithms provides an overview of the most common chemoinformatics algorithms in a single source.After a historical persp

Chemoinformatics

Chemoinformatics
Author :
Publisher : John Wiley & Sons
Total Pages : 719
Release :
ISBN-10 : 9783527693788
ISBN-13 : 3527693785
Rating : 4/5 (88 Downloads)

Synopsis Chemoinformatics by : Thomas Engel

This essential guide to the knowledge and tools in the field includes everything from the basic concepts to modern methods, while also forming a bridge to bioinformatics. The textbook offers a very clear and didactical structure, starting from the basics and the theory, before going on to provide an overview of the methods. Learning is now even easier thanks to exercises at the end of each section or chapter. Software tools are explained in detail, so that the students not only learn the necessary theoretical background, but also how to use the different software packages available. The wide range of applications is presented in the corresponding book Applied Chemoinformatics - Achievements and Future Opportunities (ISBN 9783527342013). For Master and PhD students in chemistry, biochemistry and computer science, as well as providing an excellent introduction for other newcomers to the field.

Handbook of Computational Chemistry

Handbook of Computational Chemistry
Author :
Publisher : Springer Science & Business Media
Total Pages : 1451
Release :
ISBN-10 : 9789400707108
ISBN-13 : 940070710X
Rating : 4/5 (08 Downloads)

Synopsis Handbook of Computational Chemistry by : Jerzy Leszczynski

This handbook is a guide to current methods of computational chemistry, explaining their limitations and advantages and providing examples of their applications. The first part outlines methods, the balance of volumes present numerous important applications.

Handbook of Chemoinformatics

Handbook of Chemoinformatics
Author :
Publisher :
Total Pages : 1870
Release :
ISBN-10 : 3527306803
ISBN-13 : 9783527306800
Rating : 4/5 (03 Downloads)

Synopsis Handbook of Chemoinformatics by : Johann Gasteiger

"The new discipline of chemoinformatics covers the application of computer-assisted methods to chemical problems such as information storage and retrieval, the prediction of physical, chemical or biological properties of compounds, spectra simulation, structure elucidation, reaction modeling, synthesis planning and drug design. ... this four-volume Handbook contains in-depth contributions from top authors from around the world, with the content organized into chapters dealing with the representation of molecular structures and reactions, data types and databases/data sources, search methods, methods for data analysis as well as applications"--Back cover.

Methodologies and Applications for Chemoinformatics and Chemical Engineering

Methodologies and Applications for Chemoinformatics and Chemical Engineering
Author :
Publisher : IGI Global
Total Pages : 500
Release :
ISBN-10 : 9781466640115
ISBN-13 : 1466640111
Rating : 4/5 (15 Downloads)

Synopsis Methodologies and Applications for Chemoinformatics and Chemical Engineering by : Haghi, A. K.

In recent years, significant advances have been made in the development of chemistry and computer science integration into the fields of biomedical and chemical engineering, applying quantum principles to practical, macro-world science. Methodologies and Applications for Chemoinformatics and Chemical Engineering brings together innovative research, new concepts, and novel developments in the application of informatics tools for applied chemistry and computer science. This book is essential amongst chemists, engineers, and researchers in providing mutual communication between academics and industry professionals around the world.

Mathematical Chemistry and Chemoinformatics

Mathematical Chemistry and Chemoinformatics
Author :
Publisher : Walter de Gruyter
Total Pages : 521
Release :
ISBN-10 : 9783110254075
ISBN-13 : 3110254077
Rating : 4/5 (75 Downloads)

Synopsis Mathematical Chemistry and Chemoinformatics by : Adalbert Kerber

More than 20 years of experience in molecular structure generation, from conceptualization through to applications Innovative, interdisciplinary text demonstrating example queries with software packages such as MOLGEN-online Detailed explanations on establishing QSPRs and QSARs as well as structure elucidation using mass spectrometry and structure generation. Aims and Scope This work provides an introduction to mathematical modeling of molecules and the resulting applications (structure generation, structure elucidation, QSAR/QSPR etc.). Most chemists have experimented with some software that represents molecules in an electronic form, and such models and applications are of increasing interest in diverse and growing fields such as drug discovery, environmental science and metabolomics. Furthermore, structure generation remains the only way to systematically create molecules that are not (yet) present in a database. This book starts with the mathematical theory behind representing molecules, explaining chemical concepts in mathematical terms and providing exercises that can be completed online. The later chapters cover applications of the theory, with detailed explanations on QSPR and QSAR investigations and finally structure elucidation combining mass spectrometry and structure generation. This book is aimed in particular at the users of structure generation methods and corresponding techniques, but also for those interested in teaching and learning mathematical chemistry, and for software designers in chemoinformatics.

Chemoinformatics

Chemoinformatics
Author :
Publisher : John Wiley & Sons
Total Pages : 611
Release :
ISBN-10 : 9783527331093
ISBN-13 : 3527331093
Rating : 4/5 (93 Downloads)

Synopsis Chemoinformatics by : Thomas Engel

Von den Grundlagen zu Methoden - dieses Fachbuch, übersichtlich und didaktisch klar gegliedert, ist eine maßgebliche Handreichung mit allem Wissenswerten und Erläuterungen der Tools in diesem Fachgebiet.

Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences

Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences
Author :
Publisher : Academic Press
Total Pages : 514
Release :
ISBN-10 : 9780128217474
ISBN-13 : 0128217472
Rating : 4/5 (74 Downloads)

Synopsis Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences by : Navneet Sharma

Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences brings together two very important fields in pharmaceutical sciences that have been mostly seen as diverging from each other: chemoinformatics and bioinformatics. As developing drugs is an expensive and lengthy process, technology can improve the cost, efficiency and speed at which new drugs can be discovered and tested. This book presents some of the growing advancements of technology in the field of drug development and how the computational approaches explained here can reduce the financial and experimental burden of the drug discovery process. This book will be useful to pharmaceutical science researchers and students who need basic knowledge of computational techniques relevant to their projects. Bioscientists, bioinformaticians, computational scientists, and other stakeholders from industry and academia will also find this book helpful. - Provides practical information on how to choose and use appropriate computational tools - Presents the wide, intersecting fields of chemo-bio-informatics in an easily-accessible format - Explores the fundamentals of the emerging field of chemoinformatics and bioinformatics

Metabolic Pathway Design

Metabolic Pathway Design
Author :
Publisher : Springer Nature
Total Pages : 170
Release :
ISBN-10 : 9783030298654
ISBN-13 : 3030298655
Rating : 4/5 (54 Downloads)

Synopsis Metabolic Pathway Design by : Pablo Carbonell

This textbook presents solid tools for in silico engineering biology, offering students a step-by-step guide to mastering the smart design of metabolic pathways. The first part explains the Design-Build-Test-Learn-cycle engineering approach to biology, discussing the basic tools to model biological and chemistry-based systems. Using these basic tools, the second part focuses on various computational protocols for metabolic pathway design, from enzyme selection to pathway discovery and enumeration. In the context of industrial biotechnology, the final part helps readers understand the challenges of scaling up and optimisation. By working with the free programming language Scientific Python, this book provides easily accessible tools for studying and learning the principles of modern in silico metabolic pathway design. Intended for advanced undergraduates and master’s students in biotechnology, biomedical engineering, bioinformatics and systems biology students, the introductory sections make it also useful for beginners wanting to learn the basics of scientific coding and find real-world, hands-on examples.

Bioinformatics Tools for Pharmaceutical Drug Product Development

Bioinformatics Tools for Pharmaceutical Drug Product Development
Author :
Publisher : John Wiley & Sons
Total Pages : 452
Release :
ISBN-10 : 9781119865117
ISBN-13 : 1119865115
Rating : 4/5 (17 Downloads)

Synopsis Bioinformatics Tools for Pharmaceutical Drug Product Development by : Vivek Chavda

BIOINFORMATICS TOOLS FOR Pharmaceutical DRUG PRODUCT DLEVELOPMENT A timely book that details bioinformatics tools, artificial intelligence, machine learning, computational methods, protein interactions, peptide-based drug design, and omics technologies, for drug development in the pharmaceutical and medical sciences industries. The book contains 17 chapters categorized into 3 sections. The first section presents the latest information on bioinformatics tools, artificial intelligence, machine learning, computational methods, protein interactions, peptide-based drug design, and omics technologies. The following 2 sections include bioinformatics tools for the pharmaceutical sector and the healthcare sector. Bioinformatics brings a new era in research to accelerate drug target and vaccine design development, improving validation approaches as well as facilitating and identifying side effects and predicting drug resistance. As such, this will aid in more successful drug candidates from discovery to clinical trials to the market, and most importantly make it a more cost-effective process overall. Readers will find in this book: Applications of bioinformatics tools for pharmaceutical drug product development like process development, pre-clinical development, clinical development, commercialization of the product, etc.; The ever-expanding application of this novel technology and discusses some of the unique challenges associated with such an approach; The broad and deep background, as well as updates, on recent advances in both medicine and AI/ML that enable the application of these cutting-edge bioinformatics tools. Audience The book will be used by researchers and scientists in academia and industry including drug developers, computational biochemists, bioinformaticians, immunologists, pharmaceutical and medical sciences, as well as those in artificial intelligence and machine learning.