Machine Learning in Chemistry PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Machine Learning in Chemistry PDF full book. Access full book title Machine Learning in Chemistry by Jon Paul Janet. Download full books in PDF and EPUB format.
Author: Jon Paul Janet
Publisher: American Chemical Society
ISBN: 0841299005
Category : Science
Languages : en
Pages : 197
Get Book Here
Book Description
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: Jon Paul Janet
Publisher: American Chemical Society
ISBN: 0841299005
Category : Science
Languages : en
Pages : 197
Get Book Here
Book Description
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: Hugh M. Cartwright
Publisher: Royal Society of Chemistry
ISBN: 1788017897
Category : Science
Languages : en
Pages : 564
Get Book Here
Book Description
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
ISBN: 1839160543
Category : Computers
Languages : en
Pages : 425
Get Book Here
Book Description
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: José S. Torrecilla
Publisher: Frontiers Media SA
ISBN: 2889638707
Category :
Languages : en
Pages : 89
Get Book Here
Book Description
Author: Hugh M. Cartwright
Publisher: Oxford University Press on Demand
ISBN: 9780198557364
Category : Computers
Languages : en
Pages : 92
Get Book Here
Book Description
It is clear that the techniques of artificial intelligence are useful for more than just the development of thinking machines; they constitute powerful problem-solving tools in their own right and expand the range of problems in science that can be tackled. AI methods can now be used on a routine basis by scientists in academic research as well as the commercial world, it is therefore vital that science students are exposed to, and understand these techniques. This is the first book topresent an introduction to AI methods for science undergraduates. The examples are drawn mainly from chemistry but the book is suited to a general scientific audience wanting to know more about how computers can help to understand and interpret science.
Author: Edward O. Pyzer-Knapp
Publisher:
ISBN: 9780841235052
Category : Science
Languages : en
Pages : 140
Get Book Here
Book Description
Atomic-scale representation and statistical learning of tensorial properties -- Prediction of Mohs hardness with machine learning methods using compositional features -- High-dimensional neural network potentials for atomistic simulations -- Data-driven learning systems for chemical reaction prediction: an analysis of recent approaches -- Using machine learning to inform decisions in drug discovery : an industry perspective -- Cognitive materials discovery and onset of the 5th discovery paradigm.
Author: Thorsten Gressling
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110629453
Category : Technology & Engineering
Languages : en
Pages : 540
Get Book Here
Book Description
The ever-growing wealth of information has led to the emergence of a fourth paradigm of science. This new field of activity – data science – includes computer science, mathematics and a given specialist domain. This book focuses on chemistry, explaining how to use data science for deep insights and take chemical research and engineering to the next level. It covers modern aspects like Big Data, Artificial Intelligence and Quantum computing.
Author: Hugh Cartwright
Publisher: CRC Press
ISBN: 0849384141
Category : Science
Languages : en
Pages : 358
Get Book Here
Book Description
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: Philip Judson
Publisher: Royal Society of Chemistry
ISBN: 1788017420
Category : Science
Languages : en
Pages : 298
Get Book Here
Book Description
There have been significant developments in the use of knowledge-based expert systems in chemistry since the first edition of this book was published in 2009. This new edition has been thoroughly revised and updated to reflect the advances. The underlying theme of the book is still the need for computer systems that work with uncertain or qualitative data to support decision-making based on reasoned judgements. With the continuing evolution of regulations for the assessment of chemical hazards, and changes in thinking about how scientific decisions should be made, that need is ever greater. Knowledge-based expert systems are well established in chemistry, especially in relation to toxicology, and they are used routinely to support regulatory submissions. The effectiveness and continued acceptance of computer prediction depends on our ability to assess the trustworthiness of predictions and the validity of the models on which they are based. Written by a pioneer in the field, this book provides an essential reference for anyone interested in the uses of artificial intelligence for decision making in chemistry.
Author: Robert K. Lindsay
Publisher: McGraw-Hill Companies
ISBN:
Category : Computers
Languages : en
Pages : 216
Get Book Here
Book Description
