Applications of Deep Learning for Drug Discovery Systems with BigData

The adoption of “artificial intelligence (AI) in drug discovery”, where AI is used in the process of pharmaceutical research and development, is progressing. By using the ability to process large amounts of data, which is a characteristic of AI, and achieving advanced data analysis and inference, th...

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Main Authors: Yasunari Matsuzaka, Ryu Yashiro
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:BioMedInformatics
Subjects:
Online Access:https://www.mdpi.com/2673-7426/2/4/39
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author Yasunari Matsuzaka
Ryu Yashiro
author_facet Yasunari Matsuzaka
Ryu Yashiro
author_sort Yasunari Matsuzaka
collection DOAJ
description The adoption of “artificial intelligence (AI) in drug discovery”, where AI is used in the process of pharmaceutical research and development, is progressing. By using the ability to process large amounts of data, which is a characteristic of AI, and achieving advanced data analysis and inference, there are benefits such as shortening development time, reducing costs, and reducing the workload of researchers. There are various problems in drug development, but the following two issues are particularly problematic: (1) the yearly increases in development time and cost of drugs and (2) the difficulty in finding highly accurate target genes. Therefore, screening and simulation using AI are expected. Researchers have high demands for data collection and the utilization of infrastructure for AI analysis. In the field of drug discovery, for example, interest in data use increases with the amount of chemical or biological data available. The application of AI in drug discovery is becoming more active due to improvement in computer processing power and the development and spread of machine-learning frameworks, including deep learning. To evaluate performance, various statistical indices have been introduced. However, the factors affected in performance have not been revealed completely. In this study, we summarized and reviewed the applications of deep learning for drug discovery with BigData.
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spelling doaj.art-6467a3d824474885997ed7e9c0873d722023-11-16T19:21:26ZengMDPI AGBioMedInformatics2673-74262022-11-012460362410.3390/biomedinformatics2040039Applications of Deep Learning for Drug Discovery Systems with BigDataYasunari Matsuzaka0Ryu Yashiro1Division of Molecular and Medical Genetics, Center for Gene and Cell Therapy, The Institute of Medical Science, The University of Tokyo, Minato-ku, Tokyo 108-8639, JapanAdministrative Section of Radiation Protection, National Institute of Neuroscience, National Center of Neurology and Psychiatry, Kodaira 187-8551, Tokyo, JapanThe adoption of “artificial intelligence (AI) in drug discovery”, where AI is used in the process of pharmaceutical research and development, is progressing. By using the ability to process large amounts of data, which is a characteristic of AI, and achieving advanced data analysis and inference, there are benefits such as shortening development time, reducing costs, and reducing the workload of researchers. There are various problems in drug development, but the following two issues are particularly problematic: (1) the yearly increases in development time and cost of drugs and (2) the difficulty in finding highly accurate target genes. Therefore, screening and simulation using AI are expected. Researchers have high demands for data collection and the utilization of infrastructure for AI analysis. In the field of drug discovery, for example, interest in data use increases with the amount of chemical or biological data available. The application of AI in drug discovery is becoming more active due to improvement in computer processing power and the development and spread of machine-learning frameworks, including deep learning. To evaluate performance, various statistical indices have been introduced. However, the factors affected in performance have not been revealed completely. In this study, we summarized and reviewed the applications of deep learning for drug discovery with BigData.https://www.mdpi.com/2673-7426/2/4/39artificial intelligence (AI)BigDataconvolutional neural networksdeep learningrecurrent neural network
spellingShingle Yasunari Matsuzaka
Ryu Yashiro
Applications of Deep Learning for Drug Discovery Systems with BigData
BioMedInformatics
artificial intelligence (AI)
BigData
convolutional neural networks
deep learning
recurrent neural network
title Applications of Deep Learning for Drug Discovery Systems with BigData
title_full Applications of Deep Learning for Drug Discovery Systems with BigData
title_fullStr Applications of Deep Learning for Drug Discovery Systems with BigData
title_full_unstemmed Applications of Deep Learning for Drug Discovery Systems with BigData
title_short Applications of Deep Learning for Drug Discovery Systems with BigData
title_sort applications of deep learning for drug discovery systems with bigdata
topic artificial intelligence (AI)
BigData
convolutional neural networks
deep learning
recurrent neural network
url https://www.mdpi.com/2673-7426/2/4/39
work_keys_str_mv AT yasunarimatsuzaka applicationsofdeeplearningfordrugdiscoverysystemswithbigdata
AT ryuyashiro applicationsofdeeplearningfordrugdiscoverysystemswithbigdata