Download or read book Predictive ADMET written by Jianling Wang and published by John Wiley & Sons. This book was released on 2014-02-28 with total page 604 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book helps readers integrate in silico, in vitro, and in vivo ADMET (absorption, distribution, metabolism, elimination and toxicity) and PK (pharmacokinetics) data with routine testing applications so that pharmaceutical scientists can diagnose ADMET problems and present appropriate recommendations to move drug discovery programs forward. The book introduces the current clinical practice for drug discovery and development along with the impact on early risk assessment; consolidates the tools and models to intelligently integrate existing in silico, in vitro and in vivo ADMET data; and demonstrates successful cases and lessons learned from real drug discovery and development. In short, it is a book aimed to provide a practical road map for drug discovery and development scientists to generate efficacious and safe drugs for unmet medical needs.
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 Computational Toxicology written by Sean Ekins and published by John Wiley & Sons. This book was released on 2018-01-15 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dieses Buch ist ein wichtiges Referenzwerk für Toxikologen in vielen Bereichen und bietet eine umfassende Analyse molekular Modellansätze und Strategien der Risikobewertung von pharmazeutischen und Umweltchemikalien. - Zeigt, was mit rechnergestützter Toxikologie aktuell erreicht werden kann, und wirft einen Blick auf zukünftige Entwicklungen. - Gibt Antworten zu Themen wie Datenquellen, Datenpflege, Behandlung, Modellierung und Interpretation kritischer Endpunkte im Hinblick auf Gefahrenbewertungen im 21. Jahrhundert. - Bündelt herausragende Konzepte und das Wissen führender Autoren in einem einzigartigen Referenzwerk. - Untersucht detailliert QSAR-Modelle, Eigenschaften physiochemischer Arzneistoffe, strukturbasiertes Drug Targeting, die Bewertung chemischer Mischungen und Umweltmodelle. - Behandelt zusätzlich die Sicherheitsbewertung von Verbraucherprodukten und den Bereich chemische Abwehr und bietet Kapitel zu Open-Source-Toxikologie und Big Data.
Download or read book Handbook of Research on Lifestyle Sustainability and Management Solutions Using AI Big Data Analytics and Visualization written by Iyer, Sailesh Suryanarayan and published by IGI Global. This book was released on 2021-12-24 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: The sudden outbreak of the COVID-19 pandemic has curbed human lifestyle by imposing restrictions on regular daily movements that had been taken for granted. Due to the pandemic, the welfare segment has received more attention, and every possible effort is being made to prioritize the services at the top. This can be made possible while using the latest tools, technologies, and resources that impact the human culture and welfare of well-being. Novel methods and devices that make the welfare services more efficient, adaptive, transparent, and cost-effective need to be explored. The Handbook of Research on Lifestyle Sustainability and Management Solutions Using AI, Big Data Analytics, and Visualization offers extensive research on lifestyle management and services that contribute towards indication, detection, conduction, protection, and technological enhancement including machine learning, deep learning, artificial intelligence, big data analytics, and visualization. It also provides mechanisms that can improve lifestyle monitoring and help in increasing the immunity of the human body. Covering topics such as big data, robot therapy, and wearable technology, it is ideal for students, researchers, technologists, IT specialists, computer engineers, systems engineers, data scientists, doctors, hospital administrators, engineers, academicians, and technology providers.
Download or read book Research Anthology on Bioinformatics Genomics and Computational Biology written by Management Association, Information Resources and published by IGI Global. This book was released on 2024-03-19 with total page 1509 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the evolving environment of bioinformatics, genomics, and computational biology, academic scholars are facing a challenging challenge – keeping informed about the latest research trends and findings. With unprecedented advancements in sequencing technologies, computational algorithms, and machine learning, these fields have become indispensable tools for drug discovery, disease research, genome sequencing, and more. As scholars strive to decode the language of DNA, predict protein structures, and navigate the complexities of biological data analysis, the need for a comprehensive and up-to-date resource becomes paramount. The Research Anthology on Bioinformatics, Genomics, and Computational Biology is a collection of a carefully curated selection of chapters that serves as the solution to the pressing challenge of keeping pace with the dynamic advancements in these critical disciplines. This anthology is designed to address the informational gap by providing scholars with a consolidated and authoritative source that sheds light on critical issues, innovative theories, and transformative developments in the field. It acts as a single reference point, offering insights into conceptual, methodological, technical, and managerial issues while also providing a glimpse into emerging trends and future opportunities.
Download or read book In vivo Models for Drug Discovery written by José Miguel Vela and published by John Wiley & Sons. This book was released on 2014-08-11 with total page 600 pages. Available in PDF, EPUB and Kindle. Book excerpt: This one-stop reference is the first to present the complete picture -- covering all relevant organisms, from single cells to mammals, as well as all major disease areas, including neurological disorders, cancer and infectious diseases. Addressing the needs of the pharmaceutical industry, this unique handbook adopts a broad perspective on the use of animals in the early part of the drug development process, including regulatory rules and limitations, as well as numerous examples from real-life drug development projects. After a general introduction to the topic, the expert contributors from research-driven pharmaceutical companies discuss the basic considerations of using animal models, including ethical issues. The main part of the book systematically surveys the most important disease areas for current drug development, from cardiovascular to endocrine disorders, and from infectious to neurological diseases. For each area, the availability of animal models for target validation, hit finding and lead profiling is reviewed, backed by numerous examples of both successes and failures among the use of animal models. The whole is rounded off with a discussion of perspectives and challenges. Key knowledge for drug researchers in industry as well as academia.
Download or read book Virtual ADMET Assessment in Target Selection and Maturation written by Bernard Testa and published by IOS Press. This book was released on 2006 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt: A significant contributing factor to the evolution in drug discovery was the methodological and technological revolution with the advent of combinatorial chemistry. This volume summarizes discussions of three aspects of modern drug discovery, that is, priority for targets, early ADMET assessment, and in silico screening.
Download or read book Computational Approaches for Novel Therapeutic and Diagnostic Designing to Mitigate SARS CoV2 Infection written by Arpana Parihar and published by Academic Press. This book was released on 2022-07-13 with total page 620 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Approaches for Novel Therapeutic and Diagnostic Designing to Mitigate SARS-CoV2 Infection: Revolutionary Strategies to Combat Pandemics compiles information about various computational bioinformatic approaches that can help combat viral infection. The book includes working knowledge of various molecular docking and molecular dynamic simulation approaches that have been exploited for drug repurposing and drug designing purpose. In addition, it sheds light on reverse vaccinomics and immunoinformatic approaches for vaccine designing against SARS-CoV2 infection. This book is an essential resource for researchers, bioinformaticians, computational biologists, computational chemists and pharmaceutical companies who are working on the development of effective and specific therapeutic interventions and point-of-care diagnostic devices using various computational approaches. - Covers computational based approaches for designing and repurposing drugs - Discusses immunoinformatic and reverse vaccinomic approaches for effective vaccine design - Categorizes information about artificial intelligence-based drug screening and diagnostic tools
Download or read book The Medicinal Chemist s Guide to Solving ADMET Challenges written by Patrick Schnider and published by Royal Society of Chemistry. This book was released on 2021-08-27 with total page 541 pages. Available in PDF, EPUB and Kindle. Book excerpt: Medicinal chemistry is a complex science that lies at the very heart of drug discovery. Poor solubility, complex metabolism, tissue retention and slow elimination are just some of the properties of investigational compounds that present a challenge to the design and conduct of ADMET studies. Medicinal chemistry experience and knowledge relating to how a lead structure was modified to solve a specific problem is generally very challenging to retrieve. Presented in a visual and accessible style, this book provides rapid solutions to overcome the universal challenges to optimizing ADMET.
Download or read book Cheminformatics QSAR and Machine Learning Applications for Novel Drug Development written by Kunal Roy and published by Elsevier. This book was released on 2023-05-23 with total page 768 pages. Available in PDF, EPUB and Kindle. Book excerpt: Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development aims at showcasing different structure-based, ligand-based, and machine learning tools currently used in drug design. It also highlights special topics of computational drug design together with the available tools and databases. The integrated presentation of chemometrics, cheminformatics, and machine learning methods under is one of the strengths of the book.The first part of the content is devoted to establishing the foundations of the area. Here recent trends in computational modeling of drugs are presented. Other topics present in this part include QSAR in medicinal chemistry, structure-based methods, chemoinformatics and chemometric approaches, and machine learning methods in drug design. The second part focuses on methods and case studies including molecular descriptors, molecular similarity, structure-based based screening, homology modeling in protein structure predictions, molecular docking, stability of drug receptor interactions, deep learning and support vector machine in drug design. The third part of the book is dedicated to special topics, including dedicated chapters on topics ranging from de design of green pharmaceuticals to computational toxicology. The final part is dedicated to present the available tools and databases, including QSAR databases, free tools and databases in ligand and structure-based drug design, and machine learning resources for drug design. The final chapters discuss different web servers used for identification of various drug candidates. - Presents chemometrics, cheminformatics and machine learning methods under a single reference - Showcases the different structure-based, ligand-based and machine learning tools currently used in drug design - Highlights special topics of computational drug design and available tools and databases
Download or read book Computational Approaches in Drug Discovery and Precision Medicine written by Zunnan Huang and published by Frontiers Media SA. This book was released on 2021-03-15 with total page 135 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Recent Advances in Pharmaceutical Innovation and Research written by Prati Pal Singh and published by Springer Nature. This book was released on 2023-10-13 with total page 774 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers several important aspects of pharmaceutical research and innovations. It presents important topics on drug delivery, novel microsponge, nanocrystals, polymeric nanoparticles, peptide synthesis, biopharmaceuticals, pharmacodynamics, yeast flocculation, neuromodulators, innovative drug discovery, pharmacoinformatics, aminoquinoline, thiourea crystals for API synthesis, FDCs and formulations research, ayurveda and natural products, and innovations to militate anti-microbial resistance (AMR). A chapter is devoted to the applications of Artificial Intelligence and Machine Learning in diverse sectors of the pharmaceutical industry, including drug discovery and development, drug repurposing, and improving pharmaceutical productivity. The book also reviews the role of pharmacogenomics and pharmacogenetics in drug development and precision medicine. Further, the book presents an updated summary of recent advances in the fields of nanomedicines and nano-based drug delivery systems. This book is useful to pharmaceutical sciences students, researchers, educators, and professionals in the pharmaceutical industry to understand the intricacies of new drug research and innovations.
Download or read book BIOINFORMATICS FIFTH EDITION written by RASTOGI, S.C. and published by PHI Learning Pvt. Ltd.. This book was released on 2022-04-05 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designed as a comprehensive text for students and professionals pursuing careers in the fields of bioinformatics, molecular biology, pharmacy and drug research, the Fifth Edition continues to offer a fascinating and authoritative treatment of the entire spectrum of bioinformatics, covering a wide range of high-throughput technologies. The content can be used for four core courses: bioinformatics fundamentals, genomics, proteomics and drug discovery and design. The Fifth Edition takes a completely new pedagogical approach and the book is divided into eight distinct Units for the ease of learning: Bioinformatics Fundamentals, Sequence Alignment, Phylogenetic Analysis, Genomics, Protein Structure and Function, Drug Discovery Methods, Drug Design and Development and Integrative Topics. Accordingly, all the chapters are revised and updated in the new edition, besides introduction of seven new chapters and another seven completely re-written chapters. As a student-friendly text, it embodies several pedagogical features such as detailed examples, numerous tables, a large number of diagrams, flow charts and web resources. The book in its present edition should prove an invaluable asset to the students and researchers in the fields of bioinformatics, biotechnology, computer-aided drug design, information technology, medical diagnostics, molecular biology and pharmaceutical sciences. NEW TO THE FIFTH EDITION • Re-written chapters — Biological database search and data retrieval, Pair-wise alignment of sequences, PSSMs and Hidden Markov Models, Gene Mapping, Gene Prediction, Protein Structure Overview and Protein Structure Prediction. • Inclusion of new chapters—Scoring Matrices, Gene Sequencing, Regulatory Elements Prediction, Comparative Genomics, Protein Structure Databases, Protein Function Prediction and Potential Drug Targets. KEY FEATURES • Covers the field of bioinformatics in a complete and integrated approach – moving from the fundamentals to theory and practical applications. • State-of-the-art technologies for gene identification, molecular modeling and monitoring of cellular processes. • Data mining, data curation and analysis, classification, interpretation and efficient structure determination of genomes and proteomes. • Companion website provides useful resources for the teachers as well as for the students. So, visit Learning Centre https:// www.phindia.com/bioinformatics_mendiratta_rastogi to have access of Lecture notes, solutions manual, MCQs, problems set for practice, glossary of important terms, etc. TARGET AUDIENCE • UG and PG Students of Bioinformatics, Biotechnology, Molecular Biology and Pharmacy.
Download or read book Machine Learning and Deep Learning in Computational Toxicology written by Huixiao Hong and published by Springer Nature. This book was released on 2023-03-11 with total page 654 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a collection of machine learning and deep learning algorithms, methods, architectures, and software tools that have been developed and widely applied in predictive toxicology. It compiles a set of recent applications using state-of-the-art machine learning and deep learning techniques in analysis of a variety of toxicological endpoint data. The contents illustrate those machine learning and deep learning algorithms, methods, and software tools and summarise the applications of machine learning and deep learning in predictive toxicology with informative text, figures, and tables that are contributed by the first tier of experts. One of the major features is the case studies of applications of machine learning and deep learning in toxicological research that serve as examples for readers to learn how to apply machine learning and deep learning techniques in predictive toxicology. This book is expected to provide a reference for practical applications of machine learning and deep learning in toxicological research. It is a useful guide for toxicologists, chemists, drug discovery and development researchers, regulatory scientists, government reviewers, and graduate students. The main benefit for the readers is understanding the widely used machine learning and deep learning techniques and gaining practical procedures for applying machine learning and deep learning in predictive toxicology.
Download or read book Drug Metabolism Prediction written by Johannes Kirchmair and published by John Wiley & Sons. This book was released on 2014-06-26 with total page 538 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first professional reference on this highly relevant topic, for drug developers, pharmacologists and toxicologists. The authors provide more than a systematic overview of computational tools and knowledge bases for drug metabolism research and their underlying principles. They aim to convey their expert knowledge distilled from many years of experience in the field. In addition to the fundamentals, computational approaches and their applications, this volume provides expert accounts of the latest experimental methods for investigating drug metabolism in four dedicated chapters. The authors discuss the most important caveats and common errors to consider when working with experimental data. Collating the knowledge gained over the past decade, this practice-oriented guide presents methods not only used in drug development, but also in the development and toxicological assessment of cosmetics, functional foods, agrochemicals, and additives for consumer goods, making it an invaluable reference in a variety of disciplines.
Download or read book Predicting Solubility of New Drugs written by Alex Avdeef and published by CRC Press. This book was released on 2024-05-27 with total page 1730 pages. Available in PDF, EPUB and Kindle. Book excerpt: In pharmaceutical research, solubility plays a key part in the assessment of pharmacokinetic risks. Poor drug absorption, reduced efficacy, excessive metabolism, and adverse reactions are frequently related to issues of drug solubility. During early discovery research at pharmaceutical companies, many thousands of molecules are considered. Most are rejected due to perceived unfavorable properties. Here the author uses the Wiki-pS0TM database, which forms the backbone of this unique handbook. Also discussed is the emerging class of therapeutically promising research molecules called PROTACs (proteolysis-targeting chimeras), showing a propensity for ‘undruggable’ targets. FEATURES • A comprehensive and unique listing of measured aqueous intrinsic solubility focusing on drug-like and drug-relevant molecules. • The database can be used to predict the solubility of research pharmaceutical molecules. • Includes downloadable files of the database (.csv format). • The mining of the database can result in a better design of solubility assay protocols, leading to better quality of measurements. • Artificial intelligence and Bayesian statistics will likely be key to this subject area in the future. Alex Avdeef has been an American Association of Pharmaceutical Scientists (AAPS) Fellow since 2014, a former visiting senior research fellow at King’s College London, and is the author of Absorption and Drug Development (2nd ed., Wiley, 2012). In 2021, the book was translated into Chinese, by translators affiliated with the China Food and Drug Administration. For nearly 50 years, he has been teaching, researching, and developing methods, instruments, and analysis software for the measurement of ionization constants, solubility, dissolution, and permeability of drugs. His accomplishments in the development of instrumentation include several well-known instruments that are or recently have been manufactured by leading companies in the instrument market, including Thermo Fisher Scientific, Sirius Analytical, and Pion Inc. He has over 200 technical publications in primary scientific journals and book chapters. He has written several comprehensive technical guides and is a co-inventor on six patents. He cofounded Sirius Analytical (UK) in 1989, pION Inc. (USA) in 1996, and founded in–ADME Research (New York City) in 2011. His other positions were at Orion Research, Syracuse University, UC Berkeley, and Caltech.
