Download or read book De novo Molecular Design written by Gisbert Schneider and published by John Wiley & Sons. This book was released on 2013-10-10 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: Systematically examining current methods and strategies, this ready reference covers a wide range of molecular structures, from organic-chemical drugs to peptides, Proteins and nucleic acids, in line with emerging new drug classes derived from biomacromolecules. A leader in the field and one of the pioneers of this young discipline has assembled here the most prominent experts from across the world to provide first-hand knowledge. While most of their methods and examples come from the area of pharmaceutical discovery and development, the approaches are equally applicable for chemical probes and diagnostics, pesticides, and any other molecule designed to interact with a biological system. Numerous images and screenshots illustrate the many examples and method descriptions. With its broad and balanced coverage, this will be the firststop resource not only for medicinal chemists, biochemists and biotechnologists, but equally for bioinformaticians and molecular designers for many years to come. From the content: * Reaction-driven de novo design * Adaptive methods in molecular design * Design of ligands against multitarget profiles * Free energy methods in ligand design * Fragment-based de novo design * Automated design of focused and target family-oriented compound libraries * Molecular de novo design by nature-inspired computing * 3D QSAR approaches to de novo drug design * Bioisosteres in de novo design * De novo design of peptides, proteins and nucleic acid structures, including RNA aptamers and many more.
Download or read book Systematic Design for Emergence in Cellular Nonlinear Networks written by Radu Dogaru and published by Springer. This book was released on 2008-01-12 with total page 174 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this insightful work, Dogaru proposes a systematic framework for measuring emergence and a systematic design method to locate computationally meaningful genes in a reasonable computing time. Programs and application examples are provided so that the reader may easily understand the new concepts and develop her own specific experiments. The book’s approachability recommends it to a large audience including specialists from various interdisciplinary fields.
Download or read book Research Areas written by and published by . This book was released on 1989 with total page 12 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Biomedical Index to PHS supported Research written by and published by . This book was released on 1990 with total page 866 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Research Awards Index written by and published by . This book was released on 1989 with total page 776 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Understanding Protein Dynamics Binding and Allostery for Drug Design written by Guang Hu and published by Frontiers Media SA. This book was released on 2021-06-08 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Applications of Artificial Intelligence in Process Systems Engineering written by Jingzheng Ren and published by Elsevier. This book was released on 2021-06-05 with total page 542 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of Artificial Intelligence in Process Systems Engineering offers a broad perspective on the issues related to artificial intelligence technologies and their applications in chemical and process engineering. The book comprehensively introduces the methodology and applications of AI technologies in process systems engineering, making it an indispensable reference for researchers and students. As chemical processes and systems are usually non-linear and complex, thus making it challenging to apply AI methods and technologies, this book is an ideal resource on emerging areas such as cloud computing, big data, the industrial Internet of Things and deep learning. With process systems engineering's potential to become one of the driving forces for the development of AI technologies, this book covers all the right bases. - Explains the concept of machine learning, deep learning and state-of-the-art intelligent algorithms - Discusses AI-based applications in process modeling and simulation, process integration and optimization, process control, and fault detection and diagnosis - Gives direction to future development trends of AI technologies in chemical and process engineering
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1991 with total page 1102 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Systems Medicine written by and published by Academic Press. This book was released on 2020-08-24 with total page 1571 pages. Available in PDF, EPUB and Kindle. Book excerpt: Technological advances in generated molecular and cell biological data are transforming biomedical research. Sequencing, multi-omics and imaging technologies are likely to have deep impact on the future of medical practice. In parallel to technological developments, methodologies to gather, integrate, visualize and analyze heterogeneous and large-scale data sets are needed to develop new approaches for diagnosis, prognosis and therapy. Systems Medicine: Integrative, Qualitative and Computational Approaches is an innovative, interdisciplinary and integrative approach that extends the concept of systems biology and the unprecedented insights that computational methods and mathematical modeling offer of the interactions and network behavior of complex biological systems, to novel clinically relevant applications for the design of more successful prognostic, diagnostic and therapeutic approaches. This 3 volume work features 132 entries from renowned experts in the fields and covers the tools, methods, algorithms and data analysis workflows used for integrating and analyzing multi-dimensional data routinely generated in clinical settings with the aim of providing medical practitioners with robust clinical decision support systems. Importantly the work delves into the applications of systems medicine in areas such as tumor systems biology, metabolic and cardiovascular diseases as well as immunology and infectious diseases amongst others. This is a fundamental resource for biomedical students and researchers as well as medical practitioners who need to need to adopt advances in computational tools and methods into the clinical practice. Encyclopedic coverage: ‘one-stop’ resource for access to information written by world-leading scholars in the field of Systems Biology and Systems Medicine, with easy cross-referencing of related articles to promote understanding and further research Authoritative: the whole work is authored and edited by recognized experts in the field, with a range of different expertise, ensuring a high quality standard Digitally innovative: Hyperlinked references and further readings, cross-references and diagrams/images will allow readers to easily navigate a wealth of information
Download or read book Proceedings of the NIELIT s International Conference on Communication Electronics and Digital Technology written by Palaiahnakote Shivakumara and published by Springer Nature. This book was released on with total page 610 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Handbook of Research on Biomedical Engineering Education and Advanced Bioengineering Learning Interdisciplinary Concepts written by Abu-Faraj, Ziad O. and published by IGI Global. This book was released on 2012-02-29 with total page 987 pages. Available in PDF, EPUB and Kindle. Book excerpt: Description based on: v. 2, copyrighted in 2012.
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 Machine Learning Optimization and Big Data written by Giuseppe Nicosia and published by Springer. This book was released on 2017-12-19 with total page 621 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book constitutes the post-conference proceedings of the Third International Workshop on Machine Learning, Optimization, and Big Data, MOD 2017, held in Volterra, Italy, in September 2017. The 50 full papers presented were carefully reviewed and selected from 126 submissions. The papers cover topics in the field of machine learning, artificial intelligence, computational optimization and data science presenting a substantial array of ideas, technologies, algorithms, methods and applications.
Download or read book Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment written by Kunal Roy and published by Academic Press. This book was released on 2015-03-03 with total page 494 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment describes the historical evolution of quantitative structure-activity relationship (QSAR) approaches and their fundamental principles. This book includes clear, introductory coverage of the statistical methods applied in QSAR and new QSAR techniques, such as HQSAR and G-QSAR. Containing real-world examples that illustrate important methodologies, this book identifies QSAR as a valuable tool for many different applications, including drug discovery, predictive toxicology and risk assessment. Written in a straightforward and engaging manner, this is the ideal resource for all those looking for general and practical knowledge of QSAR methods. - Includes numerous practical examples related to QSAR methods and applications - Follows the Organization for Economic Co-operation and Development principles for QSAR model development - Discusses related techniques such as structure-based design and the combination of structure- and ligand-based design tools
Download or read book Bioinformatics written by Anil K. Sharma and published by Walter de Gruyter GmbH & Co KG. This book was released on 2024-12-02 with total page 184 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative tools are becoming increasingly important in order to understand complex cascade of signal transduction events, pathways or biochemical reactions. The book showcases how computational techniques and algorithms are applied to biological data analysis, interpretation, and modelling. It covers applications in drug design and discovery, immune systems, phylogenetic analysis and protein structures.
Download or read book Machine Learning Methodologies To Study Molecular Interactions written by Elif Ozkirimli and published by Frontiers Media SA. This book was released on 2022-01-21 with total page 147 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dr. Elif Ozkirimli is a full time employee of F. Hoffmann-La Roche AG, Switzerland and Dr. Artur Yakimovich is a full time employee of Roche Products Limited, UK. All other Topic Editors declare no competing interests with regards to the Research Topic.
Download or read book Computational Biology in Drug Discovery and Repurposing written by Rajani Sharma and published by CRC Press. This book was released on 2024-08-16 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new book takes an in-depth look at the emerging and prospective field of computational biology and bioinformatics, which possesses the ability to analyze large accumulated biological data collected from sequence analysis of proteins and genes and cell population with an aim to make new predictions pertaining to drug discovery and new biology. The book explains the basic methodology associated with a bioinformatics and computational approach in drug designing. It then goes on to cover the implementation of computational programming, bioinformatics, pharmacophore modeling, biotechnological techniques, and pharmaceutical chemistry in designing drugs. The major advantage of intervention of computer language or programming is to cut down the number of steps and costs in the field of drug designing, reducing the repeating steps and saving time in screening the potent component for drug or vaccine designing. The book describes algorithms used for drug designing and the use of machine learning and AI in drug delivery and disease diagnosis, which are valuable in clinical decision-making. The implementation of robotics in different diseases like stroke, cancer, COVID-19, etc. is also addressed. Topics include machine learning, AI, databases in drug design, molecular docking, bioinformatics tools, target-based drug design, and immunoinformatics, chemoinformatics, and nanoinformatics in drug design. Drug repurposing in drug design in general as well as for specific diseases, including cancer, Alzheimer’s disease, tuberculosis, COVID-19, etc., is also addressed in depth.
