Machine Learning In Molecular Sciences

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Machine Learning in Molecular Sciences

Chen Qu,Hanchao Liu
Machine Learning in Molecular Sciences Book PDF

Author : Chen Qu,Hanchao Liu
Publisher : Springer
Page : 0 pages
File Size : 50,8 Mb
Release : 2023-09-23
Category : Computers
ISBN : 303137195X

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Machine Learning in Molecular Sciences by Chen Qu,Hanchao Liu Pdf

Machine learning and artificial intelligence have propelled research across various molecular science disciplines thanks to the rapid progress in computing hardware, algorithms, and data accumulation. This book presents recent machine learning applications in the broad research field of molecular sciences. Written by an international group of renowned experts, this edited volume covers both the machine learning methodologies and state-of-the-art machine learning applications in a wide range of topics in molecular sciences, from electronic structure theory to nuclear dynamics of small molecules, to the design and synthesis of large organic and biological molecules. This book is a valuable resource for researchers and students interested in applying machine learning in the research of molecular sciences.

Deep Learning for the Life Sciences

Bharath Ramsundar,Peter Eastman,Patrick Walters,Vijay Pande
Deep Learning for the Life Sciences Book PDF

Author : Bharath Ramsundar,Peter Eastman,Patrick Walters,Vijay Pande
Publisher : O'Reilly Media
Page : 236 pages
File Size : 50,8 Mb
Release : 2019-04-10
Category : Science
ISBN : 9781492039808

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Deep Learning for the Life Sciences by Bharath Ramsundar,Peter Eastman,Patrick Walters,Vijay Pande Pdf

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

Machine Learning in Molecular Sciences

Chen Qu,Hanchao Liu
Machine Learning in Molecular Sciences Book PDF

Author : Chen Qu,Hanchao Liu
Publisher : Springer Nature
Page : 323 pages
File Size : 54,5 Mb
Release : 2023-11-02
Category : Computers
ISBN : 9783031371967

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Machine Learning in Molecular Sciences by Chen Qu,Hanchao Liu Pdf

Machine learning and artificial intelligence have propelled research across various molecular science disciplines thanks to the rapid progress in computing hardware, algorithms, and data accumulation. This book presents recent machine learning applications in the broad research field of molecular sciences. Written by an international group of renowned experts, this edited volume covers both the machine learning methodologies and state-of-the-art machine learning applications in a wide range of topics in molecular sciences, from electronic structure theory to nuclear dynamics of small molecules, to the design and synthesis of large organic and biological molecules. This book is a valuable resource for researchers and students interested in applying machine learning in the research of molecular sciences.

Machine Learning in Biological Sciences

Shyamasree Ghosh,Rathi Dasgupta
Machine Learning in Biological Sciences Book PDF

Author : Shyamasree Ghosh,Rathi Dasgupta
Publisher : Springer Nature
Page : 337 pages
File Size : 49,9 Mb
Release : 2022-05-04
Category : Medical
ISBN : 9789811688812

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Machine Learning in Biological Sciences by Shyamasree Ghosh,Rathi Dasgupta Pdf

This book gives an overview of applications of Machine Learning (ML) in diverse fields of biological sciences, including healthcare, animal sciences, agriculture, and plant sciences. Machine learning has major applications in process modelling, computer vision, signal processing, speech recognition, and language understanding and processing and life, and health sciences. It is increasingly used in understanding DNA patterns and in precision medicine. This book is divided into eight major sections, each containing chapters that describe the application of ML in a certain field. The book begins by giving an introduction to ML and the various ML methods. It then covers interesting and timely aspects such as applications in genetics, cell biology, the study of plant-pathogen interactions, and animal behavior. The book discusses computational methods for toxicity prediction of environmental chemicals and drugs, which forms a major domain of research in the field of biology. It is of relevance to post-graduate students and researchers interested in exploring the interdisciplinary areas of use of machine learning and deep learning in life sciences.

Machine Learning in Chemistry

Jon Paul Janet,Heather J. Kulik
Machine Learning in Chemistry Book PDF

Author : Jon Paul Janet,Heather J. Kulik
Publisher : American Chemical Society
Page : 189 pages
File Size : 44,5 Mb
Release : 2020-05-28
Category : Science
ISBN : 9780841299009

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Machine Learning in Chemistry by Jon Paul Janet,Heather J. Kulik Pdf

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

Machine Learning Methodologies To Study Molecular Interactions

Elif Ozkirimli,Tunca Dogan,Arzucan Ozgur,Artur Yakimovich
Machine Learning Methodologies To Study Molecular Interactions Book PDF

Author : Elif Ozkirimli,Tunca Dogan,Arzucan Ozgur,Artur Yakimovich
Publisher : Frontiers Media SA
Page : 147 pages
File Size : 44,7 Mb
Release : 2022-01-21
Category : Science
ISBN : 9782889741212

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Machine Learning Methodologies To Study Molecular Interactions by Elif Ozkirimli,Tunca Dogan,Arzucan Ozgur,Artur Yakimovich Pdf

Dr. Elif Ozkirimli is a full time employee of F. Hoffmann-La Roche AG, Switzerland and Dr. Artur Yakimovich is a full time employee of Roche Products Limited, UK. All other Topic Editors declare no competing interests with regards to the Research Topic.

Machine Learning in Chemistry

Hugh M. Cartwright
Machine Learning in Chemistry Book PDF

Author : Hugh M. Cartwright
Publisher : Royal Society of Chemistry
Page : 564 pages
File Size : 48,5 Mb
Release : 2020-07-15
Category : Science
ISBN : 9781788017893

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Machine Learning in Chemistry by Hugh M. Cartwright Pdf

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.

Statistical Modeling and Machine Learning for Molecular Biology

Alan Moses
Statistical Modeling and Machine Learning for Molecular Biology Book PDF

Author : Alan Moses
Publisher : CRC Press
Page : 281 pages
File Size : 47,6 Mb
Release : 2017-01-06
Category : Computers
ISBN : 9781482258608

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Statistical Modeling and Machine Learning for Molecular Biology by Alan Moses Pdf

• Assumes no background in statistics or computers • Covers most major types of molecular biological data • Covers the statistical and machine learning concepts of most practical utility (P-values, clustering, regression, regularization and classification) • Intended for graduate students beginning careers in molecular biology, systems biology, bioengineering and genetics

Deep Learning for the Life Sciences

Bharath Ramsundar,Peter Eastman,Patrick Walters,Vijay Pande
Deep Learning for the Life Sciences Book PDF

Author : Bharath Ramsundar,Peter Eastman,Patrick Walters,Vijay Pande
Publisher : Unknown
Page : 238 pages
File Size : 54,5 Mb
Release : 2019
Category : Artificial intelligence
ISBN : 1492039829

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Deep Learning for the Life Sciences by Bharath Ramsundar,Peter Eastman,Patrick Walters,Vijay Pande Pdf

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.

Deep Learning in Science

Pierre Baldi
Deep Learning in Science Book PDF

Author : Pierre Baldi
Publisher : Cambridge University Press
Page : 387 pages
File Size : 45,9 Mb
Release : 2021-07
Category : Computers
ISBN : 9781108845359

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Deep Learning in Science by Pierre Baldi Pdf

Rigorous treatment of the theory of deep learning from first principles, with applications to beautiful problems in the natural sciences.

Deep Learning In Biology And Medicine

Davide Bacciu,Paulo J G Lisboa,Alfredo Vellido
Deep Learning In Biology And Medicine Book PDF

Author : Davide Bacciu,Paulo J G Lisboa,Alfredo Vellido
Publisher : World Scientific
Page : 333 pages
File Size : 51,9 Mb
Release : 2022-01-17
Category : Computers
ISBN : 9781800610958

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Deep Learning In Biology And Medicine by Davide Bacciu,Paulo J G Lisboa,Alfredo Vellido Pdf

Biology, medicine and biochemistry have become data-centric fields for which Deep Learning methods are delivering groundbreaking results. Addressing high impact challenges, Deep Learning in Biology and Medicine provides an accessible and organic collection of Deep Learning essays on bioinformatics and medicine. It caters for a wide readership, ranging from machine learning practitioners and data scientists seeking methodological knowledge to address biomedical applications, to life science specialists in search of a gentle reference for advanced data analytics.With contributions from internationally renowned experts, the book covers foundational methodologies in a wide spectrum of life sciences applications, including electronic health record processing, diagnostic imaging, text processing, as well as omics-data processing. This survey of consolidated problems is complemented by a selection of advanced applications, including cheminformatics and biomedical interaction network analysis. A modern and mindful approach to the use of data-driven methodologies in the life sciences also requires careful consideration of the associated societal, ethical, legal and transparency challenges, which are covered in the concluding chapters of this book.

Flow Batteries

Christina Roth,Jens Noack,Maria Skyllas-Kazacos
Flow Batteries Book PDF

Author : Christina Roth,Jens Noack,Maria Skyllas-Kazacos
Publisher : John Wiley & Sons
Page : 1510 pages
File Size : 54,8 Mb
Release : 2022-12-06
Category : Technology & Engineering
ISBN : 9783527832774

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Flow Batteries by Christina Roth,Jens Noack,Maria Skyllas-Kazacos Pdf

Flow Batteries The premier reference on flow battery technology for large-scale, high-performance, and sustainable energy storage From basics to commercial applications, Flow Batteries covers the main aspects and recent developments of (Redox) Flow Batteries, from the electrochemical fundamentals and the materials used to their characterization and technical application. Edited by a team of leading experts, including the “founding mother of vanadium flow battery technology” Maria Skyllas-Kazacos, the full scope of this revolutionary technology is detailed, including chemistries other than vanadium and organic flow batteries. Other key topics covered in Flow Batteries include: Flow battery computational modeling and simulation, including quantum mechanical considerations, cell, stack, and system modeling, techno-economics, and grid behavior A comparison of the standard vanadium flow battery variant with new and emerging flow batteries using different chemistries and how they will change the field Commercially available flow batteries from different manufacturers, their technology, and application ranges The pivotal role of flow batteries in overcoming the global energy crisis Flow Batteries is an invaluable resource for researchers and engineers in academia and industry who want to understand and work with this exciting new technology and explore the full range of its current and future applications.

Molecular Networking

Caroline Desgranges,Jerome Delhommelle
Molecular Networking Book PDF

Author : Caroline Desgranges,Jerome Delhommelle
Publisher : Unknown
Page : 0 pages
File Size : 52,9 Mb
Release : 2024-01-25
Category : Science
ISBN : 0367438933

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Molecular Networking by Caroline Desgranges,Jerome Delhommelle Pdf

The book builds on an analogy between social groups and assemblies of molecules to introduce the concepts of statistical mechanics, machine learning and data science. Applications to systems at the cutting-edge of research e.g. environmental and energy applications, will be used.

Elements of Data Science, Machine Learning, and Artificial Intelligence Using R

Frank Emmert-Streib,Salissou Moutari,Matthias Dehmer
Elements of Data Science Machine Learning and Artificial Intelligence Using R Book PDF

Author : Frank Emmert-Streib,Salissou Moutari,Matthias Dehmer
Publisher : Springer Nature
Page : 582 pages
File Size : 47,7 Mb
Release : 2023-10-03
Category : Technology & Engineering
ISBN : 9783031133398

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Elements of Data Science, Machine Learning, and Artificial Intelligence Using R by Frank Emmert-Streib,Salissou Moutari,Matthias Dehmer Pdf

The textbook provides students with tools they need to analyze complex data using methods from data science, machine learning and artificial intelligence. The authors include both the presentation of methods along with applications using the programming language R, which is the gold standard for analyzing data. The authors cover all three main components of data science: computer science; mathematics and statistics; and domain knowledge. The book presents methods and implementations in R side-by-side, allowing the immediate practical application of the learning concepts. Furthermore, this teaches computational thinking in a natural way. The book includes exercises, case studies, Q&A and examples.

Molecular Dynamics and Machine Learning in Drug Discovery

Sergio Decherchi,Andrea Cavalli,Pratyush Tiwary,Francesca Grisoni
Molecular Dynamics and Machine Learning in Drug Discovery Book PDF

Author : Sergio Decherchi,Andrea Cavalli,Pratyush Tiwary,Francesca Grisoni
Publisher : Frontiers Media SA
Page : 119 pages
File Size : 46,6 Mb
Release : 2021-06-08
Category : Science
ISBN : 9782889668632

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Molecular Dynamics and Machine Learning in Drug Discovery by Sergio Decherchi,Andrea Cavalli,Pratyush Tiwary,Francesca Grisoni Pdf

Dr. Sergio Decherchi and Dr. Andrea Cavalli are co-founders of BiKi Technologies s.r.l. - a company that commercializes a Molecular Dynamics-based software suite for drug discovery. All other Topic Editors declare no competing interests with regards to the Research Topic subject.