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Recent Advances in QSAR Studies
This book presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part consists of a comprehensive review of QSAR methodology. The second part highlights the interdisciplinary aspects and new areas of QSAR modelling.
Towards Efficient Designing of Safe Nanomaterials
This book is the first to provide a comprehensive review of recent progress and challenges in the risk assessment of nanomaterials by empirical and computational techniques.
Organic Pollutants Ten Years After the Stockholm Convention
Ten years after coming into force of the Stockholm Convention on Persistent Organic Pollutants (POPs), a wide range of organic chemicals (industrial formulations, plant protection products, pharmaceuticals and personal care products, etc.) still poses the highest priority environmental hazard. The broadening of knowledge of organic pollutants (OPs) environmental fate and effects, as well as the decontamination techniques, is accompanied by an increase in significance of certain pollution sources (e.g. sewage sludge and dredged sediments application, textile industry), associated with a potential generation of new dangers for humans and natural ecosystems. The present book addresses these aspects, especially in the light of Organic Pollutants risk assessment as well as the practical application of novel analytical methods and techniques for removing OPs from the environment. Providing analytical and environmental update, this contribution can be particularly valuable for engineers and environmental scientists.
Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment
Quantitative structure-activity relationships (QSARs) represent predictive models derived from the application of statistical tools correlating biological activity or other properties of chemicals with descriptors representative of molecular structure and/or property. Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment discusses recent advancements in the field of QSARs with special reference to their application in drug development, predictive toxicology, and chemical risk analysis. Focusing on emerging research in the field, this book is an ideal reference source for industry professionals, students, and academicians in the fields of medicinal chemistry and toxicology.
Computational Approaches in Biotechnology and Bioinformatics
Volume 1 of Computational Approaches in Bioengineering—Computational Approaches in Biotechnology and Bioinformatics—explores many significant topics of biomedical engineering and bioinformatics in an easily understandable format. It explores recent developments and applications in bioinformatics, biomechanics, artificial intelligence (AI), signal processing, wearable sensors, biomaterials, cell biology, synthetic biology, biostatistics, prosthetics, big data, and algorithms. From applications of biomaterials in advanced drug delivery systems to the role of big data, AI, and machine learning in disease diagnosis and treatment, the book will help readers understand how these technologies a...
Computational Approaches for Identifying Drugs Against Alzheimer's Disease
Alzheimer’s disease is the most common form of dementia which is incurable. Although some kinds of memory loss are normal during aging, these are not severe enough to interfere with the level of function. ß-Secretase is an important protease in the pathogenesis of Alzheimer’s disease. Some statine-based peptidomimetics show inhibitory activities to the ß-secretase. To explore the inhibitory mechanism, molecular docking and three-dimensional quantitative structure-activity relationship (3D-QSAR) studies on these analogues were performed. Quantitative structure-activity relationship (QSAR) modeling pertains to the construction of predictive models of biological activities as a function o...
QSAR in Safety Evaluation and Risk Assessment
QSAR in Safety Evaluation and Risk Assessment provides comprehensive coverage on QSAR methods, tools, data sources, and models focusing on applications in products safety evaluation and chemicals risk assessment. Organized into five parts, the book covers almost all aspects of QSAR modeling and application. Topics in the book include methods of QSAR, from both scientific and regulatory viewpoints; data sources available for facilitating QSAR models development; software tools for QSAR development; and QSAR models developed for assisting safety evaluation and risk assessment. Chapter contributors are authored by a lineup of active scientists in this field. The chapters not only provide profes...
Computational study on medicinally important antibiotics
Quantum chemistry uses the Schrödinger equation to predict properties of molecules and their course in chemical reactions. From the 1920 to 1960s, it handled the complicated mathematical equations of quantum mechanics for molecules. Now, it can solve complicated problems through computer technology. It also makes real-time calculations with new concepts and simplifications. Novel approaches will be needed in quantum chemistry to promote research field beyond a set of techniques available in computer programs for showing many pressing problems of humanity. Currently, it is available to everyone to use popular free chemistry software packages. First generate new ideas to explore and produce t...
Research Anthology on Synthesis, Characterization, and Applications of Nanomaterials
The use of nanotechnologies continues to grow, as nanomaterials have proven their versatility and use in many different fields and industries within the scientific profession. Using nanotechnology, materials can be made lighter, more durable, more reactive, and more efficient leading nanoscale materials to enhance many everyday products and processes. With many different sizes, shapes, and internal structures, the applications are endless. These uses range from pharmaceutics to materials such as cement or cloth, electronics, environmental sustainability, and more. Therefore, there has been a recent surge of research focused on the synthesis and characterizations of these nanomaterials to bet...
Nanoparticles in Cancer Therapy
This book presents the role of nanoparticles in cancer therapy, emphasizing their innovative applications across treatment, diagnosis and the development of therapeutic strategies. The first section of the book describes the applications of nanoparticles in cancer vaccines and gene therapy. It features discussions on polymeric nanoparticles as nanovaccine carriers, membrane-based nano-vaccines for immunotherapy and gene therapy techniques employing nanoparticles. The second section presents advanced nanomedicine approaches, specifying the role of chemodynamic nanoparticles in cancer theranostics, the application of low-dimensional nanomaterials and emerging strategies against drug resistance...
