Deep Learning for Toxicity and Disease Prediction PDF Download

Author: Ping Gong
Publisher: Frontiers Media SA
ISBN: 2889636321
Category :
Languages : en
Pages : 143

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Author: Bharath Ramsundar
Publisher: O'Reilly Media
ISBN: 1492039802
Category : Science
Languages : en
Pages : 236

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Book Description
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 science’s greatest challenges. Learn the basics of performing machine learning on molecular data Understand why deep learning is a powerful tool for genetics and genomics Apply deep learning to understand biophysical systems Get a brief introduction to machine learning with DeepChem Use deep learning to analyze microscopic images Analyze medical scans using deep learning techniques Learn about variational autoencoders and generative adversarial networks Interpret what your model is doing and how it’s working

Author: Roberto Todeschini
Publisher: John Wiley & Sons
ISBN: 9783527628773
Category : Science
Languages : en
Pages : 1257

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Book Description
The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past six years has been painstakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of more than 3300 descriptors and related terms for chemoinformatic analysis of chemical compound properties, while the second volume lists over 6,000 references selected from 450 journals. To make the data even more accessible, the introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords for novice users.

Author: Alexander Gammerman
Publisher: Springer
ISBN: 331933395X
Category : Computers
Languages : en
Pages : 235

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Book Description
This book constitutes the refereed proceedings of the 5th International Symposium on Conformal and Probabilistic Prediction with Applications, COPA 2016, held in Madrid, Spain, in April 2016. The 14 revised full papers presented together with 1 invited paper were carefully reviewed and selected from 23 submissions and cover topics on theory of conformal prediction; applications of conformal prediction; and machine learning.

Author: Hao Zhu
Publisher: Humana
ISBN: 9781071622155
Category : Medical
Languages : en
Pages : 0

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Book Description
This second edition volume expands on the previous edition by exploring the latest advancements in high throughput screening (HTS) in toxicity studies by using in vitro, ex vivo, and in vivo models. This volume also covers the application of artificial intelligence (AI) and data science to curate, manage, and use HTS data. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and thorough, High Throughput Screening Assays in Modern Toxicology, Second Edition is a valuable resource for scientists pursuing chemical toxicology research. This book will aid scientists and researchers in translating new HTS techniques into standardized chemical toxicology assessment tools that can refine, reduce, and replace animal testing.

Author: Vladimir Vovk
Publisher: Springer Science & Business Media
ISBN: 9780387001524
Category : Computers
Languages : en
Pages : 344

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Book Description
Algorithmic Learning in a Random World describes recent theoretical and experimental developments in building computable approximations to Kolmogorov's algorithmic notion of randomness. Based on these approximations, a new set of machine learning algorithms have been developed that can be used to make predictions and to estimate their confidence and credibility in high-dimensional spaces under the usual assumption that the data are independent and identically distributed (assumption of randomness). Another aim of this unique monograph is to outline some limits of predictions: The approach based on algorithmic theory of randomness allows for the proof of impossibility of prediction in certain situations. The book describes how several important machine learning problems, such as density estimation in high-dimensional spaces, cannot be solved if the only assumption is randomness.

Author: Gisbert Schneider
Publisher: John Wiley & Sons
ISBN: 3527677038
Category : Medical
Languages : en
Pages : 540

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Book Description
Systematically examining current methods and strategies, this ready reference covers a wide range of molecular structures, from organic-chemical drugs to peptides, Proteins and nucleic acids, in line with emerging new drug classes derived from biomacromolecules. A leader in the field and one of the pioneers of this young discipline has assembled here the most prominent experts from across the world to provide first-hand knowledge. While most of their methods and examples come from the area of pharmaceutical discovery and development, the approaches are equally applicable for chemical probes and diagnostics, pesticides, and any other molecule designed to interact with a biological system. Numerous images and screenshots illustrate the many examples and method descriptions. With its broad and balanced coverage, this will be the firststop resource not only for medicinal chemists, biochemists and biotechnologists, but equally for bioinformaticians and molecular designers for many years to come. From the content: * Reaction-driven de novo design * Adaptive methods in molecular design * Design of ligands against multitarget profiles * Free energy methods in ligand design * Fragment-based de novo design * Automated design of focused and target family-oriented compound libraries * Molecular de novo design by nature-inspired computing * 3D QSAR approaches to de novo drug design * Bioisosteres in de novo design * De novo design of peptides, proteins and nucleic acid structures, including RNA aptamers and many more.

Author: Vineeth Balasubramanian
Publisher: Newnes
ISBN: 0124017150
Category : Computers
Languages : en
Pages : 323

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Book Description
The conformal predictions framework is a recent development in machine learning that can associate a reliable measure of confidence with a prediction in any real-world pattern recognition application, including risk-sensitive applications such as medical diagnosis, face recognition, and financial risk prediction. Conformal Predictions for Reliable Machine Learning: Theory, Adaptations and Applications captures the basic theory of the framework, demonstrates how to apply it to real-world problems, and presents several adaptations, including active learning, change detection, and anomaly detection. As practitioners and researchers around the world apply and adapt the framework, this edited volume brings together these bodies of work, providing a springboard for further research as well as a handbook for application in real-world problems. - Understand the theoretical foundations of this important framework that can provide a reliable measure of confidence with predictions in machine learning - Be able to apply this framework to real-world problems in different machine learning settings, including classification, regression, and clustering - Learn effective ways of adapting the framework to newer problem settings, such as active learning, model selection, or change detection

Author: Li Di
Publisher: Elsevier
ISBN: 0080557619
Category : Science
Languages : en
Pages : 549

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Book Description
Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, typically only a fraction of these have sufficient ADME/Tox properties to become a drug product. Understanding ADME/Tox is critical for all drug researchers, owing to its increasing importance in advancing high quality candidates to clinical studies and the processes of drug discovery. If the properties are weak, the candidate will have a high risk of failure or be less desirable as a drug product. This book is a tool and resource for scientists engaged in, or preparing for, the selection and optimization process. The authors describe how properties affect in vivo pharmacological activity and impact in vitro assays. Individual drug-like properties are discussed from a practical point of view, such as solubility, permeability and metabolic stability, with regard to fundamental understanding, applications of property data in drug discovery and examples of structural modifications that have achieved improved property performance. The authors also review various methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties. - Serves as an essential working handbook aimed at scientists and students in medicinal chemistry - Provides practical, step-by-step guidance on property fundamentals, effects, structure-property relationships, and structure modification strategies - Discusses improvements in pharmacokinetics from a practical chemist's standpoint

Author: Mohamed Abou-Donia
Publisher: John Wiley & Sons
ISBN: 1119940419
Category : Medical
Languages : en
Pages : 716

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Book Description
Mammalian Toxicology surveys chemical agents and examines how such chemicals impact on human health, emphasizing the importance in minimizing environmental exposure to chemical and physical hazards in our homes, communities and workplaces through such media as contaminated water, soil and air. Starting with the basic principles on a wide range of toxic agents, this textbook describes how they enter the body, their mechanisms of action once inside, and strategies for diagnosis, prevention and treatment. Topics covered include: General principles of toxicology: pharmacological and toxicological principles underpinning the study of toxicology, risk assessments and mechanisms of cell death Disposition: routes of chemical exposures, entry into the body and various tissues, storage, metabolic biotransformation and elimination, with examples from various toxicants. Toxic agents: the occurrences, disposition in the body, health effects, toxic mechanisms, antidotes and treatments of a range of agents including pesticides, metals, solvents, gases, nanomaterials, food components and additives, pharmaceuticals, drugs of abuse, natural toxins, endocrine disruptors, radiation, and warfare weapons. Toxic effects: including neurotoxicity, developmental toxicity, immunotoxicity, teratogenecity, male and female reproductive toxicity, mutagenecity, carcinogenicity, pulmonary toxicity, cardiovascular toxicity, hepatotoxicity, gastrointestinal toxicity and cardiovascular toxicity Toxicology and society: epidemiological studies of chemical-induced diseases in human populations, and a vision for toxicology in the 21st century. Mammalian Toxicology is an essential primer for students of toxicology, biochemistry, biology, medicine and chemistry. It is also appropriate for professional toxicologists in research or regulatory affairs, and anyone who needs to understand the adverse effects of toxic agents on the human body.