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AI in Drug Discovery
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Bioinformatics Research and Development
This book constitutes the refereed proceedings of the First International Bioinformatics Research and Development Conference, BIRD 2007, held in Berlin, Germany in March 2007. The 36 revised full papers are organized in topical sections on microarray and systems biology and networks, medical, SNPs, genomics, systems biology, sequence analysis and coding, proteomics and structure, databases, Web and text analysis.
Artificial Neural Networks and Machine Learning – ICANN 2023
The 10-volume set LNCS 14254-14263 constitutes the proceedings of the 32nd International Conference on Artificial Neural Networks and Machine Learning, ICANN 2023, which took place in Heraklion, Crete, Greece, during September 26–29, 2023. The 426 full papers, 9 short papers and 9 abstract papers included in these proceedings were carefully reviewed and selected from 947 submissions. ICANN is a dual-track conference, featuring tracks in brain inspired computing on the one hand, and machine learning on the other, with strong cross-disciplinary interactions and applications.
Artificial Neural Networks and Machine Learning – ICANN 2021
The proceedings set LNCS 12891, LNCS 12892, LNCS 12893, LNCS 12894 and LNCS 12895 constitute the proceedings of the 30th International Conference on Artificial Neural Networks, ICANN 2021, held in Bratislava, Slovakia, in September 2021.* The total of 265 full papers presented in these proceedings was carefully reviewed and selected from 496 submissions, and organized in 5 volumes. In this volume, the papers focus on topics such as generative neural networks, graph neural networks, hierarchical and ensemble models, human pose estimation, image processing, image segmentation, knowledge distillation, and medical image processing. *The conference was held online 2021 due to the COVID-19 pandemic.
Applied Biclustering Methods for Big and High-Dimensional Data Using R
Proven Methods for Big Data Analysis As big data has become standard in many application areas, challenges have arisen related to methodology and software development, including how to discover meaningful patterns in the vast amounts of data. Addressing these problems, Applied Biclustering Methods for Big and High-Dimensional Data Using R shows how to apply biclustering methods to find local patterns in a big data matrix. The book presents an overview of data analysis using biclustering methods from a practical point of view. Real case studies in drug discovery, genetics, marketing research, biology, toxicity, and sports illustrate the use of several biclustering methods. References to technical details of the methods are provided for readers who wish to investigate the full theoretical background. All the methods are accompanied with R examples that show how to conduct the analyses. The examples, software, and other materials are available on a supplementary website.
In Silico Methods for Drug Design and Discovery
This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.
Graph Representation Learning
Graph-structured data is ubiquitous throughout the natural and social sciences, from telecommunication networks to quantum chemistry. Building relational inductive biases into deep learning architectures is crucial for creating systems that can learn, reason, and generalize from this kind of data. Recent years have seen a surge in research on graph representation learning, including techniques for deep graph embeddings, generalizations of convolutional neural networks to graph-structured data, and neural message-passing approaches inspired by belief propagation. These advances in graph representation learning have led to new state-of-the-art results in numerous domains, including chemical sy...
Deep Learning and Parallel Computing Environment for Bioengineering Systems
Deep Learning and Parallel Computing Environment for Bioengineering Systems delivers a significant forum for the technical advancement of deep learning in parallel computing environment across bio-engineering diversified domains and its applications. Pursuing an interdisciplinary approach, it focuses on methods used to identify and acquire valid, potentially useful knowledge sources. Managing the gathered knowledge and applying it to multiple domains including health care, social networks, mining, recommendation systems, image processing, pattern recognition and predictions using deep learning paradigms is the major strength of this book. This book integrates the core ideas of deep learning ...
Deep Learning for the Life Sciences
Deep learning has already achieved remarkable results in many fields. Now it’s making waves throughout the sciences broadly and the life sciences in particular. This practical book teaches developers and scientists how to use deep learning for genomics, chemistry, biophysics, microscopy, medical analysis, and other fields. Ideal for practicing developers and scientists ready to apply their skills to scientific applications such as biology, genetics, and drug discovery, this book introduces several deep network primitives. You’ll follow a case study on the problem of designing new therapeutics that ties together physics, chemistry, biology, and medicine—an example that represents one of...
Handbook of Molecular Descriptors
Quantitative studies on structure-activity and structure-property relationships are powerful tools in directed drug research. In recent years, various strategies have been developed to characterize and classify structural patterns by means of molecular descriptors. It has become possible not only to assess diversities or similarities of structure databases, but molecular descriptors also facilitate the identification of potential bioactive molecules from the rapidly increasing number of compound libraries. They even allow for a controlled de-novo design of new lead structures. This is the most comprehensive collection of molecular descriptors and presents a detailed review from the origins o...
