Cheminformatics And Bioinformatics At The Interface With Systems Biology
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Cheminformatics And Bioinformatics At The Interface With Systems Biology
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Author : Aman Chandra Kaushik
language : en
Publisher: Royal Society of Chemistry
Release Date : 2023-09-08
Cheminformatics And Bioinformatics At The Interface With Systems Biology written by Aman Chandra Kaushik and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-09-08 with Science categories.
The cost of drug development is increasing, and investment returns are decreasing. The number of drugs approved by FDA is in decline in terms of the number of new molecular entities (NMEs). Amongst the reasons noted for this are the adverse side effects and reduced efficiency of many of the potential compounds. This is a problem both for the pharmaceutical industry and for those suffering from diseases for which there are no or few available treatments. Advances in computational chemistry, computer science, structural biology and molecular biology have all contributed to improved drug design strategies and reduced the time taken for drug discovery. By interfacing cheminformatics and bioinformatics with systems biology we can create a powerful tool for understanding the mechanisms of patho-physiological systems and identifying lead molecules for various diseases. This integration of drug design approaches can also play a crucial role in the prediction and rationalization of drug effects and side effects, improving safety and efficacy and leading to better approval rates. Addressing the lack of knowledge on the fundamental aspects of the various computational tools for drug discovery, this book is a compilation of recent bioinformatics and cheminformatics approaches, and their integration with systems biology. Written primarily for researchers and academics in chem- and bioinformatics, it may also be a useful resource for advanced-level students.
Cheminformatics And Bioinformatics At The Interface With Systems Biology
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Author : Aman Chandra Kaushik
language : en
Publisher: Royal Society of Chemistry
Release Date : 2023-09-08
Cheminformatics And Bioinformatics At The Interface With Systems Biology written by Aman Chandra Kaushik and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-09-08 with Science categories.
The cost of drug development is increasing, and investment returns are decreasing. The number of drugs approved by FDA is in decline in terms of the number of new molecular entities (NMEs). Amongst the reasons noted for this are the adverse side effects and reduced efficiency of many of the potential compounds. This is a problem both for the pharmaceutical industry and for those suffering from diseases for which there are no or few available treatments. Advances in computational chemistry, computer science, structural biology and molecular biology have all contributed to improved drug design strategies and reduced the time taken for drug discovery. By interfacing cheminformatics and bioinformatics with systems biology we can create a powerful tool for understanding the mechanisms of patho-physiological systems and identifying lead molecules for various diseases. This integration of drug design approaches can also play a crucial role in the prediction and rationalization of drug effects and side effects, improving safety and efficacy and leading to better approval rates. Addressing the lack of knowledge on the fundamental aspects of the various computational tools for drug discovery, this book is a compilation of recent bioinformatics and cheminformatics approaches, and their integration with systems biology. Written primarily for researchers and academics in chem- and bioinformatics, it may also be a useful resource for advanced-level students.
Chemoinformatics And Bioinformatics In The Pharmaceutical Sciences
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Author : Navneet Sharma
language : en
Publisher: Elsevier
Release Date : 2021-05-21
Chemoinformatics And Bioinformatics In The Pharmaceutical Sciences written by Navneet Sharma and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-05-21 with Business & Economics categories.
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
Computational Approaches In Cheminformatics And Bioinformatics
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Author : Rajarshi Guha
language : en
Publisher: John Wiley & Sons
Release Date : 2012-01-04
Computational Approaches In Cheminformatics And Bioinformatics written by Rajarshi Guha and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-01-04 with Science categories.
A breakthrough guide employing knowledge that unites cheminformatics and bioinformatics as innovation for the future Bridging the gap between cheminformatics and bioinformatics for the first time, Computational Approaches in Cheminformatics and Bioinformatics provides insight on how to blend these two sciences for progressive research benefits. It describes the development and evolution of these fields, how chemical information may be used for biological relations and vice versa, the implications of these new connections, and foreseeable developments in the future. Using algorithms and domains as workflow tools, this revolutionary text drives bioinformaticians to consider chemical structure, and similarly, encourages cheminformaticians to consider large biological systems such as protein targets and networks. Computational Approaches in Cheminformatics and Bioinformatics covers: Data sources available for modelling and prediction purposes Developments of conventional Quantitative Structure-Activity Relationships (QSAR) Computational tools for manipulating chemical and biological data Novel ways of probing the interactions between small molecules and proteins Also including insight from public (NIH), academic, and industrial sources (Novartis, Pfizer), this book offers expert knowledge to aid scientists through industry and academic study. The invaluable applications for drug discovery, cellular and molecular biology, enzymology, and metabolism make Computational Approaches in Cheminformatics and Bioinformatics the essential guidebook for evolving drug discovery research and alleviating the issue of chemical control and manipulation of various systems.
Advanced Computing Solutions For Healthcare
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Author : Sivakumar Rajagopal, Prakasam P., Konguvel E., Shamala Subramaniam, Ali Safaa Sadiq Al Shakarchi, B. Prabadevi
language : en
Publisher: Bentham Science Publishers
Release Date : 2025-07-01
Advanced Computing Solutions For Healthcare written by Sivakumar Rajagopal, Prakasam P., Konguvel E., Shamala Subramaniam, Ali Safaa Sadiq Al Shakarchi, B. Prabadevi and has been published by Bentham Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-07-01 with Technology & Engineering categories.
Advanced Computing Solutions for Healthcare explores the transformative integration of advanced computing technologies into healthcare systems, emphasizing innovation in patient care, diagnostics, and health monitoring. Spanning 22 chapters, it covers topics such as artificial intelligence, machine learning, IoT, data science, and wearable technologies. The book bridges theoretical concepts and practical applications, featuring neuromorphic computing, IoT for healthcare, AI-driven diagnostics, 5G in medicine, augmented reality, and mathematical modeling. It highlights real-world case studies and cutting-edge methodologies, including FPGA-based accelerators, deep learning models for disease classification, and assistive technologies for inclusivity.
Machine Learning And Hybrid Modelling For Reaction Engineering
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Author : Dongda Zhang
language : en
Publisher: Royal Society of Chemistry
Release Date : 2023-12-20
Machine Learning And Hybrid Modelling For Reaction Engineering written by Dongda Zhang and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-12-20 with Science categories.
Over the last decade, there has been a significant shift from traditional mechanistic and empirical modelling into statistical and data-driven modelling for applications in reaction engineering. In particular, the integration of machine learning and first-principle models has demonstrated significant potential and success in the discovery of (bio)chemical kinetics, prediction and optimisation of complex reactions, and scale-up of industrial reactors. Summarising the latest research and illustrating the current frontiers in applications of hybrid modelling for chemical and biochemical reaction engineering, Machine Learning and Hybrid Modelling for Reaction Engineering fills a gap in the methodology development of hybrid models. With a systematic explanation of the fundamental theory of hybrid model construction, time-varying parameter estimation, model structure identification and uncertainty analysis, this book is a great resource for both chemical engineers looking to use the latest computational techniques in their research and computational chemists interested in new applications for their work.
Structural Dynamics With X Ray And Electron Scattering
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Author : Kasra Amini
language : en
Publisher: Royal Society of Chemistry
Release Date : 2023-12-20
Structural Dynamics With X Ray And Electron Scattering written by Kasra Amini and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-12-20 with Science categories.
Since the early 20th century, X-ray and electron scattering has provided a powerful means by which the location of atoms can be identified in gas-phase molecules and condensed matter with sub-atomic spatial resolution. Scattering techniques can also provide valuable observables of the fundamental properties of electrons in matter such as an electron’s spin and its energy. In recent years, significant technological developments in both X-ray and electron scattering have paved the way to time-resolved analogues capable of capturing real-time snapshots of transient structures undergoing a photochemical reaction. Structural Dynamics with X-ray and Electron Scattering is a two-part book that firstly introduces the fundamental background to scattering theory and photochemical phenomena of interest. The second part discusses the latest advances and research results from the application of ultrafast scattering techniques to imaging the structure and dynamics of gas-phase molecules and condensed matter. This book aims to provide a unifying platform for X-ray and electron scattering.
Artificial Intelligence In Bioinformatics And Chemoinformatics
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Author : Yashwant Pathak
language : en
Publisher: CRC Press
Release Date : 2023-10-11
Artificial Intelligence In Bioinformatics And Chemoinformatics written by Yashwant Pathak and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-10-11 with Medical categories.
The authors aim to shed light on the practicality of using machine learning in finding complex chemoinformatics and bioinformatics applications as well as identifiying AI in biological and chemical data points. The chapters are designed in such a way that they highlight the important role of AI in chemistry and bioinformatics particularly for the classification of diseases, selection of features and compounds, dimensionality reduction and more. In addition, they assist in the organization and optimal use of data points generated from experiments performed using AI techniques. This volume discusses the development of automated tools and techniques to aid in research plans. Features Covers AI applications in bioinformatics and chemoinformatics Demystifies the involvement of AI in generating biological and chemical data Provides an Introduction to basic and advanced chemoinformatics computational tools Presents a chemical biology based toolset for artificial intelligence usage in drug design Discusses computational methods in cancer, genome mapping, and stem cell research
In Silico Chemistry And Biology
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Author : Girish Kumar Gupta
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2022-05-09
In Silico Chemistry And Biology written by Girish Kumar Gupta and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-09 with Science categories.
In Silico Chemistry and Biology: Current and Future Prospects provides a compact overview on recent advances in this highly dynamic branch of chemistry. Various methods of protein modelling and computer-assisted drug design are presented, including fragment- and ligand-based approaches. Many successful practical applications of these techniques are demonstrated. The authors also look to the future and describe the main challenges of the field.
Cell Signaling
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Author : Adeeb Shehzad
language : en
Publisher: CRC Press
Release Date : 2025-04-17
Cell Signaling written by Adeeb Shehzad and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-04-17 with Science categories.
This book provides a comprehensive understanding of cell signaling, molecular interactions, and their implications for human health and diseases. It introduces fundamental principles underlying cell communication through signaling molecules and their diverse transmission and reception mechanisms, highlighting their role in intercellular communication through voltage- and ion-gated channels, immunological and neuron synapses, and rhinovirus–receptor interaction involved in pathogenesis and disease development. Toward the end, the book highlights the profound implications of altered cell signaling pathways in the inflammation and immune response followed by the progression of various disorders, including cancer, endocrine disorders, and neurological illnesses. It explores the diagnostic and therapeutic implications of cell signaling in targeted therapies, highlighting advanced techniques for detecting signaling molecules and innovative therapeutic approaches to inspire new developments in precision medicine. It serves as an important resource for academics, students, and professionals in the fields of cell biology and biomedical sciences. Key Features: Provides in-depth understanding of cell signaling, exploring its complexities and impact on human health and disease Introduces fundamental principles of cell communication, emphasizing the different signaling molecules and their various transmission pathways Focuses on complex structures and functions of receptors, highlighting their essential role in intercellular communication and regulating cellular behavior Examines the molecular aspects of cell surface adhesion receptors, elucidating protein–protein interactions, signaling cascades, and enzyme–substrate interactions Discusses the impact of cell signaling on inflammation, cancer, and endocrine and neurological disorders