Author : Hugh Cartwright
Publisher : CRC Press
Page : 358 pages
File Size : 39,76 MB
Release : 2008-05-05
Category : Science
ISBN : 0849384141
Possessing great potential power for gathering and managing data in chemistry, biology, and other sciences, Artificial Intelligence (AI) methods are prompting increased exploration into the most effective areas for implementation. A comprehensive resource documenting the current state-of-the-science and future directions of the field is required to
Author : Hugh M. Cartwright
Publisher : Royal Society of Chemistry
Page : 564 pages
File Size : 37,32 MB
Release : 2020-07-15
Category : Science
ISBN : 1788017897
Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but more recently ML tools have been developed that show significant potential across wide areas of science. There is a growing consensus that ML software, and related areas of artificial intelligence, may, in due course, become as fundamental to scientific research as computers themselves. Yet a perception remains that ML is obscure or esoteric, that only computer scientists can really understand it, and that few meaningful applications in scientific research exist. This book challenges that view. With contributions from leading research groups, it presents in-depth examples to illustrate how ML can be applied to real chemical problems. Through these examples, the reader can both gain a feel for what ML can and cannot (so far) achieve, and also identify characteristics that might make a problem in physical science amenable to a ML approach. This text is a valuable resource for scientists who are intrigued by the power of machine learning and want to learn more about how it can be applied in their own field.
Author : Nathan Brown
Publisher : Royal Society of Chemistry
Page : 425 pages
File Size : 32,70 MB
Release : 2020-11-04
Category : Computers
ISBN : 1839160543
Following significant advances in deep learning and related areas interest in artificial intelligence (AI) has rapidly grown. In particular, the application of AI in drug discovery provides an opportunity to tackle challenges that previously have been difficult to solve, such as predicting properties, designing molecules and optimising synthetic routes. Artificial Intelligence in Drug Discovery aims to introduce the reader to AI and machine learning tools and techniques, and to outline specific challenges including designing new molecular structures, synthesis planning and simulation. Providing a wealth of information from leading experts in the field this book is ideal for students, postgraduates and established researchers in both industry and academia.
Author : Jon Paul Janet
Publisher : American Chemical Society
Page : 189 pages
File Size : 39,89 MB
Release : 2020-05-28
Category : Science
ISBN : 0841299005
Recent advances in machine learning or artificial intelligence for vision and natural language processing that have enabled the development of new technologies such as personal assistants or self-driving cars have brought machine learning and artificial intelligence to the forefront of popular culture. The accumulation of these algorithmic advances along with the increasing availability of large data sets and readily available high performance computing has played an important role in bringing machine learning applications to such a wide range of disciplines. Given the emphasis in the chemical sciences on the relationship between structure and function, whether in biochemistry or in materials chemistry, adoption of machine learning by chemistsderivations where they are important
Author : José S. Torrecilla
Publisher : Frontiers Media SA
Page : 89 pages
File Size : 24,55 MB
Release : 2020-07-17
Category :
ISBN : 2889638707
Author : Thomas E. Quantrille
Publisher : Elsevier
Page : 634 pages
File Size : 19,31 MB
Release : 2012-12-02
Category : Technology & Engineering
ISBN : 0080571212
Artificial intelligence (AI) is the part of computer science concerned with designing intelligent computer systems (systems that exhibit characteristics we associate with intelligence in human behavior). This book is the first published textbook of AI in chemical engineering, and provides broad and in-depth coverage of AI programming, AI principles, expert systems, and neural networks in chemical engineering. This book introduces the computational means and methodologies that are used to enable computers to perform intelligent engineering tasks. A key goal is to move beyond the principles of AI into its applications in chemical engineering. After reading this book, a chemical engineer will have a firm grounding in AI, know what chemical engineering applications of AI exist today, and understand the current challenges facing AI in engineering. - Allows the reader to learn AI quickly using inexpensive personal computers - Contains a large number of illustrative examples, simple exercises, and complex practice problems and solutions - Includes a computer diskette for an illustrated case study - Demonstrates an expert system for separation synthesis (EXSEP) - Presents a detailed review of published literature on expert systems and neural networks in chemical engineering
Author : Bharath Ramsundar
Publisher : O'Reilly Media
Page : 236 pages
File Size : 48,92 MB
Release : 2019-04-10
Category : Science
ISBN : 1492039802
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 : Alexander Heifetz
Publisher : Humana
Page : 0 pages
File Size : 31,68 MB
Release : 2022-11-05
Category : Medical
ISBN : 9781071617892
This volume looks at applications of artificial intelligence (AI), machine learning (ML), and deep learning (DL) in drug design. The chapters in this book describe how AI/ML/DL approaches can be applied to accelerate and revolutionize traditional drug design approaches such as: structure- and ligand-based, augmented and multi-objective de novo drug design, SAR and big data analysis, prediction of binding/activity, ADMET, pharmacokinetics and drug-target residence time, precision medicine and selection of favorable chemical synthetic routes. How broadly are these approaches applied and where do they maximally impact productivity today and potentially in the near future. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step, readily reproducible modeling protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and unique, Artificial Intelligence in Drug Design is a valuable resource for structural and molecular biologists, computational and medicinal chemists, pharmacologists and drug designers.
Author : Jeong-Yeol Yoon
Publisher : Elsevier
Page : 409 pages
File Size : 41,8 MB
Release : 2024-07-07
Category : Science
ISBN : 044322000X
Machine learning (ML) has recently become popular in chemical and biological sensing applications. ML is a subset of artificial intelligence (AI) and other AI techniques have been used in various chemical and biological sensing. Machine Learning and Artificial Intelligence in Chemical and Biological Sensing covers the theoretical background and practical applications of various ML/AI methods toward chemical and biological sensing. No comprehensive reference text has been available previously to cover the wide breadth of this topic. The Editors have written the first three chapters to firmly introduce the reader to fundamental ML theories that can be used for chemical/biosensing. The subsequent chapters then cover the practical applications with contributions by various experts in the field. They show how ML and AI-based techniques can provide solutions for: 1) identifying and quantifying target molecules when specific receptors are unavailable 2) analyzing complex mixtures of target molecules, such as gut microbiome and soil microbiome 3) analyzing high-throughput and high-dimensional data, such as drug screening, molecular interaction, and environmental toxicant analysis, 4) analyzing complex data sets where fingerprinting approach is needed This book is written primarily for upper undergraduate students, graduate students, research staff, and faculty members at teaching and research universities and colleges who are working on chemical sensing, biosensing, analytical chemistry, analytical biochemistry, biomedical imaging, medical diagnostics, environmental monitoring, and agricultural applications. - Presents the first comprehensive reference text on the use of ML and AI for chemical and biological sensing - Provides a firm grounding in the fundamental theories on ML and AI before covering the practical applications with contributions by various experts in the field - Includes a wide array of practical applications covered, including: E-nose, Raman, SERS, lens-free imaging, multi/hyperspectral imaging, NIR/optical imaging, receptor-free biosensing, paper microfluidics, single molecule analysis in biomedicine, in situ protein characterization, microbial population dynamics, and all-in-one sensor systems
Author : Thomas Engel
Publisher : John Wiley & Sons
Page : 611 pages
File Size : 19,1 MB
Release : 2018-12-10
Category : Science
ISBN : 3527331093
Von den Grundlagen zu Methoden - dieses Fachbuch, übersichtlich und didaktisch klar gegliedert, ist eine maßgebliche Handreichung mit allem Wissenswerten und Erläuterungen der Tools in diesem Fachgebiet.
