Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences Book

Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences


  • Author : Navneet Sharma
  • Publisher : Academic Press
  • Release Date : 2021-05-21
  • Genre: Business & Economics
  • Pages : 510
  • ISBN 10 : 9780128217474

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Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences Excerpt :

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

Chemoinformatics and Advanced Machine Learning Perspectives  Complex Computational Methods and Collaborative Techniques Book

Chemoinformatics and Advanced Machine Learning Perspectives Complex Computational Methods and Collaborative Techniques


  • Author : Lodhi, Huma
  • Publisher : IGI Global
  • Release Date : 2010-07-31
  • Genre: Computers
  • Pages : 418
  • ISBN 10 : 9781615209125

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Chemoinformatics and Advanced Machine Learning Perspectives Complex Computational Methods and Collaborative Techniques Excerpt :

"This book is a timely compendium of key elements that are crucial for the study of machine learning in chemoinformatics, giving an overview of current research in machine learning and their applications to chemoinformatics tasks"--Provided by publisher.

Chemoinformatics Approaches to Virtual Screening Book

Chemoinformatics Approaches to Virtual Screening


  • Author : Alexandre Varnek
  • Publisher : Royal Society of Chemistry
  • Release Date : 2008
  • Genre: Science
  • Pages : 338
  • ISBN 10 : 9780854041442

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Chemoinformatics Approaches to Virtual Screening Excerpt :

Chemoinformatics is broadly a scientific discipline encompassing the design, creation, organization, management, retrieval, analysis, dissemination, visualization and use of chemical information. It is distinct from other computational molecular modeling approaches in that it uses unique representations of chemical structures in the form of multiple chemical descriptors; has its own metrics for defining similarity and diversity of chemical compound libraries; and applies a wide array of statistical, data mining and machine learning techniques to very large collections of chemical compounds in order to establish robust relationships between chemical structure and its physical or biological properties. Chemoinformatics addresses a broad range of problems in chemistry and biology; however, the most commonly known applications of chemoinformatics approaches have been arguably in the area of drug discovery where chemoinformatics tools have played a central role in the analysis and interpretation of structure-property data collected by the means of modern high throughput screening. Early stages in modern drug discovery often involved screening small molecules for their effects on a selected protein target or a model of a biological pathway. In the past fifteen years, innovative technologies that enable rapid synthesis and high throughput screening of large libraries of compounds have been adopted in almost all major pharmaceutical and biotech companies. As a result, there has been a huge increase in the number of compounds available on a routine basis to quickly screen for novel drug candidates against new targets/pathways. In contrast, such technologies have rarely become available to the academic research community, thus limiting its ability to conduct large scale chemical genetics or chemical genomics research. However, the landscape of publicly available experimental data collection methods for chemoinformatics has changed dramatically in very recent years. The term "

Cheminformatics and its Applications Book

Cheminformatics and its Applications


  • Author : Amalia Stefaniu
  • Publisher : BoD – Books on Demand
  • Release Date : 2020-07-15
  • Genre: Medical
  • Pages : 190
  • ISBN 10 : 9781838800673

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Cheminformatics and its Applications Excerpt :

Cheminformatics has emerged as an applied branch of Chemistry that involves multidisciplinary knowledge, connecting related fields such as chemistry, computer science, biology, pharmacology, physics, and mathematical statistics.The book is organized in two sections, including multiple aspects related to advances in the development of informatic tools and their specific use in compound structure databases with various applications in life sciences, mainly in medicinal chemistry, for identification and development of new therapeutically active molecules. The book covers aspects related to genomic analysis, semantic similarity, chemometrics, pattern recognition techniques, chemical reactivity prediction, drug-likeness assessment, bioavailability, biological target recognition, machine-based drug discovery and design. Results from various computational tools and methods are discussed in the context of new compound design and development, sharing promising opportunities, and perspectives.

Pharmaceutical Data Mining Book

Pharmaceutical Data Mining


  • Author : Konstantin V. Balakin
  • Publisher : John Wiley & Sons
  • Release Date : 2009-11-19
  • Genre: Medical
  • Pages : 584
  • ISBN 10 : 0470567619

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Pharmaceutical Data Mining Excerpt :

Leading experts illustrate how sophisticated computational data mining techniques can impact contemporary drug discovery and development In the era of post-genomic drug development, extracting and applying knowledge from chemical, biological, and clinical data is one of the greatest challenges facing the pharmaceutical industry. Pharmaceutical Data Mining brings together contributions from leading academic and industrial scientists, who address both the implementation of new data mining technologies and application issues in the industry. This accessible, comprehensive collection discusses important theoretical and practical aspects of pharmaceutical data mining, focusing on diverse approaches for drug discovery—including chemogenomics, toxicogenomics, and individual drug response prediction. The five main sections of this volume cover: A general overview of the discipline, from its foundations to contemporary industrial applications Chemoinformatics-based applications Bioinformatics-based applications Data mining methods in clinical development Data mining algorithms, technologies, and software tools, with emphasis on advanced algorithms and software that are currently used in the industry or represent promising approaches In one concentrated reference, Pharmaceutical Data Mining reveals the role and possibilities of these sophisticated techniques in contemporary drug discovery and development. It is ideal for graduate-level courses covering pharmaceutical science, computational chemistry, and bioinformatics. In addition, it provides insight to pharmaceutical scientists, principal investigators, principal scientists, research directors, and all scientists working in the field of drug discovery and development and associated industries.

Cheminformatics and Bioinformatics at the Interface with Systems Biology Book

Cheminformatics and Bioinformatics at the Interface with Systems Biology


  • Author : Aman Chandra Kaushik
  • Publisher : Unknown
  • Release Date : 2022-05-24
  • Genre: Uncategoriezed
  • Pages : 300
  • ISBN 10 : 1839161620

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Cheminformatics and Bioinformatics at the Interface with Systems Biology Excerpt :

Addressing the fundamental aspects of the various computational tools for drug discovery, this book compiles recent bioinformatics and chemoinformatics approaches, and their integration with systems biology.

Practical Chemoinformatics Book

Practical Chemoinformatics


  • Author : Muthukumarasamy Karthikeyan
  • Publisher : Springer
  • Release Date : 2014-05-06
  • Genre: Science
  • Pages : 533
  • ISBN 10 : 9788132217800

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Practical Chemoinformatics Excerpt :

Chemoinformatics is equipped to impact our life in a big way mainly in the fields of chemical, medical and material sciences. This book is a product of several years of experience and passion for the subject written in a simple lucid style to attract the interest of the student community who wish to master chemoinformatics as a career. The topics chosen cover the entire spectrum of chemoinformatics activities (methods, data and tools). The algorithms, open source databases, tutorials supporting theory using standard datasets, guidelines, questions and do it yourself exercises will make it valuable to the academic research community. At the same time every chapter devotes a section on development of new software tools relevant for the growing pharmaceutical, fine chemicals and life sciences industry. The book is intended to assist beginners to hone their skills and also constitute an interesting reading for the experts.

Structural Bioinformatics  Applications in Preclinical Drug Discovery Process Book

Structural Bioinformatics Applications in Preclinical Drug Discovery Process


  • Author : C. Gopi Mohan
  • Publisher : Springer
  • Release Date : 2019-01-10
  • Genre: Science
  • Pages : 406
  • ISBN 10 : 9783030052829

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Structural Bioinformatics Applications in Preclinical Drug Discovery Process Excerpt :

This book reviews the advances and challenges of structure-based drug design in the preclinical drug discovery process, addressing various diseases, including malaria, tuberculosis and cancer. Written by internationally recognized researchers, this edited book discusses how the application of the various in-silico techniques, such as molecular docking, virtual screening, pharmacophore modeling, molecular dynamics simulations, and residue interaction networks offers insights into pharmacologically active novel molecular entities. It presents a clear concept of the molecular mechanism of different drug targets and explores methods to help understand drug resistance. In addition, it includes chapters dedicated to natural-product- derived medicines, combinatorial drug discovery, the CryoEM technique for structure-based drug design and big data in drug discovery. The book offers an invaluable resource for graduate and postgraduate students, as well as for researchers in academic and industrial laboratories working in the areas of chemoinformatics, medicinal and pharmaceutical chemistry and pharmacoinformatics.

Computer Applications in Pharmaceutical Research and Development Book

Computer Applications in Pharmaceutical Research and Development


  • Author : Sean Ekins
  • Publisher : John Wiley & Sons
  • Release Date : 2006-07-11
  • Genre: Medical
  • Pages : 805
  • ISBN 10 : 9780470037225

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Computer Applications in Pharmaceutical Research and Development Excerpt :

A unique, holistic approach covering all functions and phases of pharmaceutical research and development While there are a number of texts dedicated to individual aspects of pharmaceutical research and development, this unique contributed work takes a holistic and integrative approach to the use of computers in all phases of drug discovery, development, and marketing. It explains how applications are used at various stages, including bioinformatics, data mining, predicting human response to drugs, and high-throughput screening. By providing a comprehensive view, the book offers readers a unique framework and systems perspective from which they can devise strategies to thoroughly exploit the use of computers in their organizations during all phases of the discovery and development process. Chapters are organized into the following sections: * Computers in pharmaceutical research and development: a general overview * Understanding diseases: mining complex systems for knowledge * Scientific information handling and enhancing productivity * Computers in drug discovery * Computers in preclinical development * Computers in development decision making, economics, and market analysis * Computers in clinical development * Future applications and future development Each chapter is written by one or more leading experts in the field and carefully edited to ensure a consistent structure and approach throughout the book. Figures are used extensively to illustrate complex concepts and multifaceted processes. References are provided in each chapter to enable readers to continue investigating a particular topic in depth. Finally, tables of software resources are provided in many of the chapters. This is essential reading for IT professionals and scientists in the pharmaceutical industry as well as researchers involved in informatics and ADMET, drug discovery, and technology development. The book's cross-functional, all-phases approach provides a unique opportunity for a holistic an

Bioinformatics and Drug Discovery Book

Bioinformatics and Drug Discovery


  • Author : Richard S. Larson
  • Publisher : Unknown
  • Release Date : 2012
  • Genre: Bioinformatics
  • Pages : 374
  • ISBN 10 : 1617799653

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Bioinformatics and Drug Discovery Excerpt :

Recent advances in drug discovery have been rapid. The second edition of Bioinformatics and Drug Discovery has been completely updated to include topics that range from new technologies in target identification, genomic analysis, cheminformatics, protein analysis, and network or pathway analysis. Each chapter provides an extended introduction that describes the theory and application of the technology. In the second part of each chapter, detailed procedures related to the use of these technologies and software have been incorporated. Written in the highly successful Methods in Molecular Biology series format, the chapters include the kind of detailed description and implementation advice that is crucial for getting optimal results in the laboratory. Thorough and intuitive, Bioinformatics and Drug Discovery, Second Edition seeks to aid scientists in the further study of the rapidly expanding field of drug discovery.

Drug Discovery and Development Book
Score: 5
From 1 Ratings

Drug Discovery and Development


  • Author : Ramarao Poduri
  • Publisher : Springer Nature
  • Release Date : 2021-02-15
  • Genre: Medical
  • Pages : 522
  • ISBN 10 : 9789811555343

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Drug Discovery and Development Excerpt :

This book describes the processes that are involved in the development of new drugs. The authors discuss the history, role of natural products and concept of receptor interactions with regard to the initial stages of drug discovery. In a single, highly readable volume, it outlines the basics of pharmacological screening, drug target identification, and genetics involved in early drug discovery. The final chapters introduce readers to stem therapeutics, pharmacokinetics, pharmacovigilance, and toxicological testing. Given its scope, the book will enable research scholars, professionals and young scientists to understand the key fundamentals of drug discovery, including stereochemistry, pharmacokinetics, clinical trials, statistics and toxicology.

Molecular Design Book

Molecular Design


  • Author : Gisbert Schneider
  • Publisher : John Wiley & Sons
  • Release Date : 2008-02-26
  • Genre: Science
  • Pages : 277
  • ISBN 10 : 3527314326

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Molecular Design Excerpt :

This first introductory-level textbook on the design of small molecules is written with the first-time user in mind. Aimed at students and scientists alike, it uses computer-based methods to design and analyze such small molecules as drugs, enzyme inhibitors, probes and markers for biomolecules. Both authors have extensive practical experience of modeling and design and share their knowledge of what can and cannot be done with computer-assisted design. Divided into four sections, the book begins with a look at molecular objects and design objectives, including molecular geometry, properties, recognition and dynamics. Two further sections deal with virtual synthesis and screening, while the final section covers navigation in chemical space. The result is a textbook that takes the modeler one step further, to the de novo design of functional molecules. With its study questions at the end of each learning unit, this is equally suitable for teaching and self-learning.

Pharmaceutical Sciences  Breakthroughs in Research and Practice Book

Pharmaceutical Sciences Breakthroughs in Research and Practice


  • Author : Management Association, Information Resources
  • Publisher : IGI Global
  • Release Date : 2016-12-28
  • Genre: Medical
  • Pages : 1584
  • ISBN 10 : 9781522517634

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Pharmaceutical Sciences Breakthroughs in Research and Practice Excerpt :

The delivery of optimal pharmaceutical services to patients is a pivotal concern in the healthcare field. By examining current trends and techniques in the industry, processes can be maintained and improved. Pharmaceutical Sciences: Breakthroughs in Research and Practice provides comprehensive coverage of the latest innovations and advancements for pharmaceutical applications. Focusing on emerging drug development techniques and drug delivery for improved health outcomes, this book is ideally designed for medical professionals, pharmacists, researchers, academics, and upper-level students within the growing pharmaceutical industry.

Open Source Software in Life Science Research Book

Open Source Software in Life Science Research


  • Author : Lee Harland
  • Publisher : Elsevier
  • Release Date : 2012-10-31
  • Genre: Science
  • Pages : 582
  • ISBN 10 : 9781908818249

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Open Source Software in Life Science Research Excerpt :

The free/open source approach has grown from a minor activity to become a significant producer of robust, task-orientated software for a wide variety of situations and applications. To life science informatics groups, these systems present an appealing proposition - high quality software at a very attractive price. Open source software in life science research considers how industry and applied research groups have embraced these resources, discussing practical implementations that address real-world business problems. The book is divided into four parts. Part one looks at laboratory data management and chemical informatics, covering software such as Bioclipse, OpenTox, ImageJ and KNIME. In part two, the focus turns to genomics and bioinformatics tools, with chapters examining GenomicsTools and EBI Atlas software, as well as the practicalities of setting up an ‘omics’ platform and managing large volumes of data. Chapters in part three examine information and knowledge management, covering a range of topics including software for web-based collaboration, open source search and visualisation technologies for scientific business applications, and specific software such as DesignTracker and Utopia Documents. Part four looks at semantic technologies such as Semantic MediaWiki, TripleMap and Chem2Bio2RDF, before part five examines clinical analytics, and validation and regulatory compliance of free/open source software. Finally, the book concludes by looking at future perspectives and the economics and free/open source software in industry. Discusses a broad range of applications from a variety of sectors Provides a unique perspective on work normally performed behind closed doors Highlights the criteria used to compare and assess different approaches to solving problems

Preclinical Development Handbook Book

Preclinical Development Handbook


  • Author : Shayne Cox Gad
  • Publisher : John Wiley & Sons
  • Release Date : 2008-03-21
  • Genre: Medical
  • Pages : 1352
  • ISBN 10 : 9780470249024

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Preclinical Development Handbook Excerpt :

A clear, straightforward resource to guide you through preclinical drug development Following this book's step-by-step guidance, you can successfully initiate and complete critical phases of preclinical drug development. The book serves as a basic, comprehensive reference to prioritizing and optimizing leads, dose formulation, ADME, pharmacokinetics, modeling, and regulations. This authoritative, easy-to-use resource covers all the issues that need to be considered and provides detailed instructions for current methods and techniques. Each chapter is written by one or more leading experts in the field. These authors, representing the many disciplines involved in preclinical toxicology screening and testing, give you the tools needed to apply an effective multidisciplinary approach. The editor has carefully reviewed all the chapters to ensure that each one is thorough, accurate, and clear. Among the key topics covered are: * Modeling and informatics in drug design * Bioanalytical chemistry * Absorption of drugs after oral administration * Transporter interactions in the ADME pathway of drugs * Metabolism kinetics * Mechanisms and consequences of drug-drug interactions Each chapter offers a full exploration of problems that may be encountered and their solutions. The authors also set forth the limitations of various methods and techniques used in determining the safety and efficacy of a drug during the preclinical stage. This publication should be readily accessible to all pharmaceutical scientists involved in preclinical testing, enabling them to perform and document preclinical safety tests to meet all FDA requirements before clinical trials may begin.