Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development write by Kunal Roy. This book was released on 2023-05-23. Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development available in PDF, EPUB and Kindle. 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
Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment
Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment write by Kunal Roy. This book was released on 2015-03-03. Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment available in PDF, EPUB and Kindle. 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
Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences
Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences write by Navneet Sharma. This book was released on 2021-05-21. Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences available in PDF, EPUB and Kindle. 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
Chemical Epigenetics
Chemical Epigenetics - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Chemical Epigenetics write by Antonello Mai. This book was released on 2020-03-31. Chemical Epigenetics available in PDF, EPUB and Kindle. This book presents an authoritative review of the most significant findings about all the epigenetic targets (writers, readers, and erasers) and their implication in physiology and pathology. The book also covers the design, synthesis and biological validation of epigenetic chemical modulators, which can be useful as novel chemotherapeutic agents. Particular attention is given to the chemical mechanisms of action of these molecules and to the drug discovery prose which allows their identification. This book will appeal to students who want to know the extensive progresses made by epigenetics (targets and modulators) in the last years from the beginning, and to specialized scientists who need an instrument to quickly search and check historical and/or updated notices about epigenetics.
Advances in Computational Intelligence for the Healthcare Industry 4.0
Advances in Computational Intelligence for the Healthcare Industry 4.0 - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Advances in Computational Intelligence for the Healthcare Industry 4.0 write by Shah, Imdad Ali. This book was released on 2024-04-26. Advances in Computational Intelligence for the Healthcare Industry 4.0 available in PDF, EPUB and Kindle. In the dynamic environment of healthcare, the fusion of Computational Intelligence and Healthcare Industry 4.0 has enabled remarkable advancements in disease detection and analysis. However, a critical challenge persists – the limitations of current computational intelligence approaches in dealing with small sample sizes. This setback hampers the performance of these innovative models, hindering their potential impact on medical applications. As we stand at the crossroads of technological innovation and healthcare evolution, the need for a solution becomes paramount. Advances in Computational Intelligence for the Healthcare Industry 4.0 is a comprehensive guide addressing the very heart of this challenge. Designed for academics, researchers, healthcare professionals, and stakeholders in Healthcare Industry 4.0, this book serves as a source of innovation. It not only illuminates the complexities of computational intelligence in healthcare but also provides a roadmap for overcoming the limitations posed by small sample sizes. From fundamental principles to innovative concepts, this book offers a holistic perspective, shaping the future of healthcare through the lens of computational intelligence and Healthcare Industry 4.0.
