Download or read book Drug like Properties Concepts Structure Design and Methods written by Li Di and published by Elsevier. This book was released on 2010-07-26 with total page 549 pages. Available in PDF, EPUB and Kindle. Book excerpt: Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, typically only a fraction of these have sufficient ADME/Tox properties to become a drug product. Understanding ADME/Tox is critical for all drug researchers, owing to its increasing importance in advancing high quality candidates to clinical studies and the processes of drug discovery. If the properties are weak, the candidate will have a high risk of failure or be less desirable as a drug product. This book is a tool and resource for scientists engaged in, or preparing for, the selection and optimization process. The authors describe how properties affect in vivo pharmacological activity and impact in vitro assays. Individual drug-like properties are discussed from a practical point of view, such as solubility, permeability and metabolic stability, with regard to fundamental understanding, applications of property data in drug discovery and examples of structural modifications that have achieved improved property performance. The authors also review various methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties. - Serves as an essential working handbook aimed at scientists and students in medicinal chemistry - Provides practical, step-by-step guidance on property fundamentals, effects, structure-property relationships, and structure modification strategies - Discusses improvements in pharmacokinetics from a practical chemist's standpoint

Download or read book Artificial Intelligence and Data Driven Optimization of Internal Combustion Engines written by Jihad Badra and published by Elsevier. This book was released on 2022-01-05 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt: Artificial Intelligence and Data Driven Optimization of Internal Combustion Engines summarizes recent developments in Artificial Intelligence (AI)/Machine Learning (ML) and data driven optimization and calibration techniques for internal combustion engines. The book covers AI/ML and data driven methods to optimize fuel formulations and engine combustion systems, predict cycle to cycle variations, and optimize after-treatment systems and experimental engine calibration. It contains all the details of the latest optimization techniques along with their application to ICE, making it ideal for automotive engineers, mechanical engineers, OEMs and R&D centers involved in engine design. - Provides AI/ML and data driven optimization techniques in combination with Computational Fluid Dynamics (CFD) to optimize engine combustion systems - Features a comprehensive overview of how AI/ML techniques are used in conjunction with simulations and experiments - Discusses data driven optimization techniques for fuel formulations and vehicle control calibration

Download or read book Characterization and Properties of Petroleum Fractions written by M. R. Riazi and published by ASTM International. This book was released on 2005 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: The last three chapters of this book deal with application of methods presented in previous chapters to estimate various thermodynamic, physical, and transport properties of petroleum fractions. In this chapter, various methods for prediction of physical and thermodynamic properties of pure hydrocarbons and their mixtures, petroleum fractions, crude oils, natural gases, and reservoir fluids are presented. As it was discussed in Chapters 5 and 6, properties of gases may be estimated more accurately than properties of liquids. Theoretical methods of Chapters 5 and 6 for estimation of thermophysical properties generally can be applied to both liquids and gases; however, more accurate properties can be predicted through empirical correlations particularly developed for liquids. When these correlations are developed with some theoretical basis, they are more accurate and have wider range of applications. In this chapter some of these semitheoretical correlations are presented. Methods presented in Chapters 5 and 6 can be used to estimate properties such as density, enthalpy, heat capacity, heat of vaporization, and vapor pressure. Characterization methods of Chapters 2-4 are used to determine the input parameters needed for various predictive methods. One important part of this chapter is prediction of vapor pressure that is needed for vapor-liquid equilibrium calculations of Chapter 9.

Download or read book Topical and Transdermal Drug Delivery written by Heather A. E. Benson and published by John Wiley & Sons. This book was released on 2012-02-03 with total page 393 pages. Available in PDF, EPUB and Kindle. Book excerpt: Practical drug development approaches presented by leading experts Designed to support the development of new, effective therapeutics, Topical and Transdermal Drug Delivery: Principles and Practice explains the principles underlying the field and then demonstrates how these principles are put into practice in the design and development of new drug products. Drawing together and reviewing the latest research findings, the book focuses on practical, tested, and proven approaches that are backed by industry case studies and the authors' firsthand experience. Moreover, the book emphasizes the mechanistic information that is essential for successful drug product development. Topical and Transdermal Drug Delivery: Principles and Practice is divided into two parts: Part One, Current Science, Skin Permeation, and Enhancement Approaches, offers readers a fundamental understanding of the underlying science in the field. It describes the principles and techniques needed to successfully perform experimental approaches, covering such issues as skin permeation, enhancement, and assessment. Part Two, Topical and Transdermal Product Development, guides readers through the complete product development process from concept to approval, offering practical tips and cautions from experts in the field. This part also discusses regulations that are specific to the development of dermal drug products. The final chapter explores current and future trends, forecasting new development techniques and therapeutics. Throughout the book, the authors clearly set forth the basic science and experimental procedures, making it possible for researchers to design their own experimental approaches and accurately interpret their results. With contributions from experienced drug researchers, this text is highly recommended for all researchers involved in topical and transdermal product development who need to know both the state of the science and the standards of practice.

Download or read book Chemoinformatics in Drug Discovery written by Tudor I. Oprea and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 515 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook provides the first-ever inside view of today's integrated approach to rational drug design. Chemoinformatics experts from large pharmaceutical companies, as well as from chemoinformatics service providers and from academia demonstrate what can be achieved today by harnessing the power of computational methods for the drug discovery process. With the user rather than the developer of chemoinformatics software in mind, this book describes the successful application of computational tools to real-life problems and presents solution strategies to commonly encountered problems. It shows how almost every step of the drug discovery pipeline can be optimized and accelerated by using chemoinformatics tools -- from the management of compound databases to targeted combinatorial synthesis, virtual screening and efficient hit-to-lead transition. An invaluable resource for drug developers and medicinal chemists in academia and industry.

Download or read book NBS Special Publication written by and published by . This book was released on 1968 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Publications of the National Institute of Standards and Technology Catalog written by National Institute of Standards and Technology (U.S.) and published by . This book was released on 1985 with total page 452 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Foundations of Computer aided Chemical Process Design Sparse matrices nonlinear programming differential equations software for process flowsheets written by Richard S. H. Mah and published by American Institute of Chemical Engineers. This book was released on 1981 with total page 648 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Combinatorial Library Design and Evaluation written by Arup Ghose and published by CRC Press. This book was released on 2001-06-26 with total page 658 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text traces developments in rational drug discovery and combinatorial library design with contributions from 50 leading scientists in academia and industry who offer coverage of basic principles, design strategies, methodologies, software tools and algorithms, and applications. It outlines the fundamentals of pharmacophore modelling and 3D Quantitative Structure-Activity Relationships (QSAR), classical QSAR, and target protein structure-based design methods.

Download or read book Oral Bioavailability Assessment written by Ayman F. El-Kattan and published by John Wiley & Sons. This book was released on 2017-05-15 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: Specifically geared to personnel in the pharmaceutical and biotechnology industries, this book describes the basics and challenges of oral bioavailability – one of the most significant hurdles in drug discovery and development. • Describes approaches to assess pharmacokinetics and how drug efflux and uptake transporters impact oral bioavailability • Helps readers reduce the failure rate of drug candidates when transitioning from the bench to the clinic during development • Explains how preclinical animal models – used in preclinical testing – and in vitro tools translate to humans, which is an underappreciated and complicated area of drug development • Includes chapters about pharmacokinetic modelling, the Biopharmaceutics Drug Disposition Classification System (BDDCS), and the Extended Clearance Classification System (ECCS) • Has tutorials for applying strategies to medicinal chemistry practices of drug discovery/development

Download or read book Properties of Polymers written by D.W. van Krevelen and published by Elsevier. This book was released on 2012-12-02 with total page 898 pages. Available in PDF, EPUB and Kindle. Book excerpt: Properties of Polymers: Their Correlation with Chemical Structure; Their Numerical Estimation and Prediction from Additive Group Contributions summarizes the latest developments regarding polymers, their properties in relation to chemical structure, and methods for estimating and predicting numerical properties from chemical structure. In particular, it examines polymer electrical properties, magnetic properties, and mechanical properties, as well as their crystallization and environmental behavior and failure. The rheological properties of polymer melts and polymer solutions are also considered. Organized into seven parts encompassing 27 chapters, this book begins with an overview of polymer science and engineering, including the typology of polymers and their properties. It then turns to a discussion of thermophysical properties, from transition temperatures to volumetric and calorimetric properties, along with the cohesive aspects and conformation statistics. It also introduces the reader to the behavior of polymers in electromagnetic and mechanical fields of force. The book covers the quantities that influence the transport of heat, momentum, and matter, particularly heat conductivity, viscosity, and diffusivity; properties that control the chemical stability and breakdown of polymers; and polymer properties as an integral concept, with emphasis on processing and product properties. Readers will find tables that give valuable (numerical) data on polymers and include a survey of the group contributions (increments) of almost every additive function considered. This book is a valuable resource for anyone working on practical problems in the field of polymers, including organic chemists, chemical engineers, polymer processers, polymer technologists, and both graduate and PhD students.

Download or read book Drug Like Properties written by Li Di and published by Academic Press. This book was released on 2015-12-17 with total page 582 pages. Available in PDF, EPUB and Kindle. Book excerpt: Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, only a fraction have sufficient ADME (absorption, distribution, metabolism, elimination) properties, and acceptable toxicology properties, to become a drug product that will successfully complete human Phase I clinical trials. Drug-Like Properties: Concepts, Structure Design and Methods from ADME to Toxicity Optimization, Second Edition, provides scientists and students the background and tools to understand, discover, and develop optimal clinical candidates. This valuable resource explores physiochemical properties, including solubility and permeability, before exploring how compounds are absorbed, distributed, and metabolized safely and stably. Review chapters provide context and underscore the importance of key concepts such as pharmacokinetics, toxicity, the blood-brain barrier, diagnosing drug limitations, prodrugs, and formulation. Building on those foundations, this thoroughly updated revision covers a wide variety of current methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties for process and product improvement. From conducting key assays for interpretation and structural analysis, the reader learns to implement modification methods and improve each ADME property. Through valuable case studies, structure-property relationship descriptions, and structure modification strategies, Drug-Like Properties, Second Edition, offers tools and methods for ADME/Tox scientists through all aspects of drug research, discovery, design, development, and optimization. - Provides a comprehensive and valuable working handbook for scientists and students in medicinal chemistry - Includes expanded coverage of pharmacokinetics fundamentals and effects - Contains updates throughout, including the authors' recent work in the importance of solubility in drug development; new and currently used property methods, with a reduction of seldom-used methods; and exploration of computational modeling methods

Download or read book Environmental Organic Chemistry for Engineers written by James G. Speight and published by Butterworth-Heinemann. This book was released on 2016-11-02 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: Environmental Organic Chemistry for Engineers clearly defines the principles of environmental organic chemistry and the role they play in forming remediation strategies. In this reference, the author explores parameter estimation methods, the thermodynamics, and kinetics needed to predict the fate, transports, and reactivity of organic compounds in air, water, and soils. The book's four part treatment starts with the classification of organic molecules and physical properties of natural organic matter, halocarbons, phenols, polyaromatic hydrocarbons, organophosphates, and surfactants. An overview of remediation technologies and a discussion of the interactions that lead to physical properties that affect chemical distribution in the environment is also detailed, as are the important reaction classes of organic molecules, including substituent effects and structure and activity relationships found in Part Two and Three. Part four is devoted to the strengths and weaknesses of different remediation technologies and when they should be employed. - Clearly defines the principles of environmental organic chemistry and the role they play in forming remediation strategies - Includes the tools and methods for classifying environmental contaminants found in air, water, and soil - Presents a wide-range of remediation technologies and when they should be deployed for maximum effect

Download or read book Polymer Molecular Weights written by Philip E. Slade and published by . This book was released on 1975 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1994 with total page 892 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Tuberculosis Drug Discovery and Development 2019 written by Giovanna Riccardi and published by MDPI. This book was released on 2020-11-24 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Tuberculosis (TB) is an infectious disease caused by Mycobacterium tuberculosis and still represents one of the global health threats to mankind. The World Health Organization estimated more than 10 million new cases and reported more than 1.5 million deaths in 2019, thus ranking TB among the main causes of death due to a single pathogen. Standard anti-TB therapy includes four first-line antibiotics that should be administered for at least six months. However, in the case of multi- and extensively drug-resistant TB, second-line medications must be used and these frequently cause severe side effects resulting in poor compliance. Developing new anti-TB drug candidates is therefore of outmost importance. In this Special Issue dedicated to Tuberculosis Drug Discovery and Development, we present the main and latest achievements in the fields of drug and target discovery, host-directed therapy, anti-virulence drugs, and describe the development of two advanced compounds: macozinone and delpazolid. In addition, this Special Issue provides an historical perspective focused on Carlo Forlanini, the inventor of pneumothorax for TB treatment, and includes an overview of the state-of-the-art technologies which are being exploited nowadays in TB drug development. Finally, a summary of TB vaccines that are either approved or undergoing clinical trials concludes the Special Issue.

Download or read book Polymer Synthesis Theory and Practice written by Dietrich Braun and published by Springer Science & Business Media. This book was released on 2006-10-14 with total page 401 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first English edition of this book was pubUshed in 1971 with the late Prof. Dr. Werner Kern as coauthor. In 1997, for the preparation of the third edition, Prof. Dr. Helmut Ritter joined the team of authors and in 2001 Prof. Dr. Brigitte Voit and Prof. Dr. Matthias Rehahn complemented this team. The change in authors has not altered the basic concept of this 4th edition: again we were not aimed at compiling a comprehensive collection of recipes. In stead, we attempted to reach a broader description of the general methods and techniques for the synthesis, modification, and characterization of macromo- cules, supplemented by 105 selected and detailed experiments and by sufficient theoretical treatment so that no additional textbook be needed in order to under stand the experiments. In addition to the preparative aspects we have also tried to give the reader an impression of the relation of chemical structure and mor phology of polymers to their properties, as well as of areas of their application.