Download or read book Fundamental Concepts written by Fidele Ntie-Kang and published by Walter de Gruyter GmbH & Co KG. This book was released on 2020-02-24 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vol. 1 of Chemoinformatics of Natural Products presents an overview of natural products chemistry, discussing the chemical space of naturally occurring compounds, followed by an overview of computational methods.

Download or read book Chemoinformatics of Natural Products written by Fidele Ntie-Kang and published by . This book was released on 2020 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vol. 1 of Chemoinformatics of Natural Products presents an overview of natural products chemistry, discussing the chemical space of naturally occurring compounds, followed by an overview of computational methods. - -

Download or read book Progress in the Chemistry of Organic Natural Products 110 written by A. Douglas Kinghorn and published by Springer Nature. This book was released on 2019-10-16 with total page 271 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book summarizes important aspects of cheminformatics that are relevant for natural product research. It highlights cheminformatics tools that help to match natural products with their respective biological targets or off-targets, and discusses the potential and limitations of this approach.

Download or read book Applied Chemoinformatics written by Thomas Engel and published by John Wiley & Sons. This book was released on 2018-06-05 with total page 660 pages. Available in PDF, EPUB and Kindle. Book excerpt: Edited by world-famous pioneers in chemoinformatics, this is a clearly structured and applications-oriented approach to the topic, providing up-to-date and focused information on the wide range of applications in this exciting field. The authors explain methods and software tools, such that the reader will not only learn the basics but also how to use the different software packages available. Experts describe applications in such different fields as structure-spectra correlations, virtual screening, prediction of active sites, library design, the prediction of the properties of chemicals, the development of new cosmetics products, quality control in food, the design of new materials with improved properties, toxicity modeling, assessment of the risk of chemicals, and the control of chemical processes. The book is aimed at advanced students as well as lectures but also at scientists that want to learn how chemoinformatics could assist them in solving their daily scientific tasks. Together with the corresponding textbook Chemoinformatics - Basic Concepts and Methods (ISBN 9783527331093) on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field.

Download or read book Natural Products Chemistry written by Tatiana G. Volova and published by CRC Press. This book was released on 2020-11-17 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: Natural Products Chemistry: Biomedical and Pharmaceutical Phytochemistry focuses on the development of biochemical, biomedical and their applications. It highlights the importance of accomplishing an integration of engineering with biology and medicine to understand and manage the scientific, industrial, and clinical aspects. It also explains both the basic science and the applications of biotechnology-derived pharmaceuticals, with special emphasis on their clinical use. The biological background provided enables readers to comprehend the major problems in biochemical engineering and formulate effective solutions. This title also expands upon current concepts with the latest research and applications, providing both the breadth and depth researchers need. The book also introduces the topic of natural products chemistry with an overview of key concepts. This book is aimed at professionals from industry, academicians engaged in chemical science or natural product chemistry research, and graduate-level students.

Download or read book Studies in Natural Products Chemistry written by Atta-ur- Rahman and published by Elsevier. This book was released on 2012-12-31 with total page 511 pages. Available in PDF, EPUB and Kindle. Book excerpt: Natural products present in the plant and animal kingdom offer a huge diversity of chemical structures which are the result of biosynthetic processes that have been modulated over the millennia through genetic effects. With the rapid developments in spectroscopic techniques and accompanying advances in high-throughput screening techniques, it has become possible to isolate, and then determine the structures and biological activity of natural products rapidly, thus opening up exciting new opportunities in the field of new drug development to the pharmaceutical industry. The series also covers the synthesis or testing and recording of the medicinal properties of natural products. - Describes the chemistry of bioactive natural products - Contains contributions by leading authorities in the field - A valuable resource for natural product and medicinal chemistry

Download or read book Advanced Concepts and Applications written by Fidele Ntie-Kang and published by Walter de Gruyter GmbH & Co KG. This book was released on 2021-11-22 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vol. 2 of Chemoinformatics of Natural Products introduces the reader to the currently available tools for toxicity prediction, drug property prediction, an enumeration of compounds, scaffolds and functional groups in nature, computational methods for lead identification, metabolite biosynthesis, etc. Selected case studies and hands-on tutorial exercises have been included.

Download or read book Studies in Natural Products Chemistry written by Atta-Ur Rahman and published by Elsevier. This book was released on 2024-07-24 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: Natural products in the plant and animal kingdom offer a huge diversity of chemical structures that are the result of biosynthetic processes that have been modulated over the millennia through genetic effects. With the rapid developments in spectroscopic techniques and accompanying advances in high-throughput screening techniques, it has become possible to isolate and then determine the structures and biological activity of natural products rapidly, thus opening up exciting opportunities in the field of new drug development to the pharmaceutical industry. Studies in Natural Products Chemistry covers the synthesis or testing and recording of the medicinal properties of natural products, providing cutting edge accounts of the fascinating developments in the isolation, structure elucidation, synthesis, biosynthesis and pharmacology of a diverse array of bioactive natural products. - Focuses on the chemistry of bioactive natural products - Contains contributions by leading authorities in te field - Presents sources of new pharmacophores

Download or read book Chemoinformatics Approaches to Virtual Screening written by Alexandre Varnek and published by Royal Society of Chemistry. This book was released on 2008 with total page 356 pages. Available in PDF, EPUB and Kindle. Book 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 "virtual screening" is commonly associated with methodologies that rely on the explicit knowledge of three-dimensional structure of the target protein to identify potential bioactive compounds. Traditional docking protocols and scoring functions rely on explicitly defined three dimensional coordinates and standard definitions of atom types of both receptors and ligands. Albeit reasonably accurate in many cases, conventional structure based virtual screening approaches are relatively computationally inefficient, which has precluded them from screening really large compound collections. Significant progress has been achieved over many years of research in developing many structure based virtual screening approaches. This book is the first monograph that summarizes innovative applications of efficient chemoinformatics approaches towards the goal of screening large chemical libraries. The focus on virtual screening expands chemoinformatics beyond its traditional boundaries as a synthetic and data-analytical area of research towards its recognition as a predictive and decision support scientific discipline. The approaches discussed by the contributors to the monograph rely on chemoinformatics concepts such as: -representation of molecules using multiple descriptors of chemical structures -advanced chemical similarity calculations in multidimensional descriptor spaces -the use of advanced machine learning and data mining approaches for building quantitative and predictive structure activity models -the use of chemoinformatics methodologies for the analysis of drug-likeness and property prediction -the emerging trend on combining chemoinformatics and bioinformatics concepts in structure based drug discovery The chapters of the book are organized in a logical flow that a typical chemoinformatics project would follow - from structure representation and comparison to data analysis and model building to applications of structure-property relationship models for hit identification and chemical library design. It opens with the overview of modern methods of compounds library design, followed by a chapter devoted to molecular similarity analysis. Four sections describe virtual screening based on the using of molecular fragments, 2D pharmacophores and 3D pharmacophores. Application of fuzzy pharmacophores for libraries design is the subject of the next chapter followed by a chapter dealing with QSAR studies based on local molecular parameters. Probabilistic approaches based on 2D descriptors in assessment of biological activities are also described with an overview of the modern methods and software for ADME prediction. The book ends with a chapter describing the new approach of coding the receptor binding sites and their respective ligands in multidimensional chemical descriptor space that affords an interesting and efficient alternative to traditional docking and screening techniques. Ligand-based approaches, which are in the focus of this work, are more computationally efficient compared to structure-based virtual screening and there are very few books related to modern developments in this field. The focus on extending the experiences accumulated in traditional areas of chemoinformatics research such as Quantitative Structure Activity Relationships (QSAR) or chemical similarity searching towards virtual screening make the theme of this monograph essential reading for researchers in the area of computer-aided drug discovery. However, due to its generic data-analytical focus there will be a growing application of chemoinformatics approaches in multiple areas of chemical and biological research such as synthesis planning, nanotechnology, proteomics, physical and analytical chemistry and chemical genomics.

Download or read book Biogenesis of Natural Products written by Baldev Kumar and published by Alpha Science Int'l Ltd.. This book was released on 2005 with total page 318 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Starting with photosynthesis, the authors present a very lucid and logical approach from CO[subscript 2] and H[subscript 2]O to complicated structures of alkaloids, terpenes and many other natural products based on the basic principles of Organic reaction mechanism which though taken from other research studies, have been shown to be followed in nature. In addition to the basic formulations of Acetate hypothesis, and Mevlonic pathways, newer non-mevalonic paths have also been discussed and differences pointed out. This book discusses natural products in which basic principles are involved e.g. in alkaloids biosynthesis and basic amino acids which show their pathway in biosynthesis." "The material has been arranged in a sequence as to how a teacher of biosynthesis should/would teach this subject."--BOOK JACKET.

Download or read book Green and Sustainable Processing written by Ponnadurai Ramasami and published by Walter de Gruyter GmbH & Co KG. This book was released on 2021-10-25 with total page 177 pages. Available in PDF, EPUB and Kindle. Book excerpt: Based on "The Virtual Conference on Chemistry and its Applications (VCCA-2020) – Research and Innovations in Chemical Sciences: Paving the Way Forward" held in August 2020 and organized by the Computational Chemistry Group of the University of Mauritius. The chapters reflect a wide range of fundamental and applied research in the chemical sciences and interdisciplinary subjects.

Download or read book Theoretical and Computational Chemistry Aspects written by Ponnadurai Ramasami and published by Walter de Gruyter GmbH & Co KG. This book was released on 2021-10-25 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt: Based on "The Virtual Conference on Chemistry and its Applications (VCCA-2020) – Research and Innovations in Chemical Sciences: Paving the Way Forward" held in August 2020 and organized by the Computational Chemistry Group of the University of Mauritius. The chapters reflect a wide range of fundamental and applied research in the chemical sciences and interdisciplinary subjects.

Download or read book Dictionary of Natural Products written by John Buckingham and published by CRC Press. This book was released on 1993-12-02 with total page 1306 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Dictionary of Natural Products is the only comprehensive source of chemical data on natural products. It provides the busy scientist with fast access to chemical, physical, bibliographic, and structural data on over 139,000 natural products organized into more than 43,000 -virtually every natural product isolated and reported in the literature.

Download or read book Accelerated Materials Discovery written by Phil De Luna and published by Walter de Gruyter GmbH & Co KG. This book was released on 2022-02-21 with total page 215 pages. Available in PDF, EPUB and Kindle. Book excerpt: Typical timelines to go from discovery to impact in the advanced materials sector are between 10 to 30 years. Advances in robotics and artificial intelligence are poised to accelerate the discovery and development of new materials dramatically. This book is a primer for any materials scientist looking to future-proof their careers and get ahead of the disruption that artificial intelligence and robotic automation is just starting to unleash. It is meant to be an overview of how we can use these disruptive technologies to augment and supercharge our abilities to discover new materials that will solve world’s biggest challenges. Written by world leading experts on accelerated materials discovery from academia (UC Berkeley, Caltech, UBC, Cornell, etc.), industry (Toyota Research Institute, Citrine Informatics) and national labs (National Research Council of Canada, Lawrence Berkeley National Labs).

Download or read book Chemoinformatics Approaches to Structure and Ligand Based Drug Design Volume II written by Adriano D. Andricopulo and published by Frontiers Media SA. This book was released on 2022-07-27 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Handbook of Natural Products Data written by Atta-ur- Rahman and published by Elsevier Science & Technology. This book was released on 1990 with total page 1576 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume covers the physical characteristics and spectral data of 1500 pentacyclic triterpenes reported until the end of 1990. The compounds are arranged according to their chemical structures in various subclasses, and within each subclass they are arranged in order of increasing molecular weight. The UV, IR, 1 H-NMR and 13 C-NMR and MS spectral data are given in descending orders of magnitude. All &egr values in the UV spectra have been converted to log &egr. The chemical shifts in the 1 H-NMR spectral data are presented in ppm and the chemical shifts in older data published in &tgr values have been converted to &dgr values to ensure uniformity of format. Data are also presented, where available, on simple derivatives of the alkaloids. CAS Registry Numbers are also given.The book is thoroughly indexed, containing a compound index, molecular weight index, molecular formula index, compound type index and plant source index, which should greatly facilitate the task of the reader in searching for individual compounds. A section describing the numbering system concludes the volume. The book will be invaluable for organic chemists, natural product chemists, medicinal chemists and pharmacologists.

Download or read book Pharmaceutical Applications written by Ponnadurai Ramasami and published by Walter de Gruyter GmbH & Co KG. This book was released on 2021-10-25 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: Based on "The Virtual Conference on Chemistry and its Applications (VCCA-2020) – Research and Innovations in Chemical Sciences: Paving the Way Forward" held in August 2020 and organized by the Computational Chemistry Group of the University of Mauritius. The chapters reflect a wide range of fundamental and applied research in the chemical sciences and interdisciplinary subjects.