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Drug Discovery Today
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Drug Discovery Today
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Drug Discovery Today
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The rise of deep learning in drug discovery

Authors: Chen, Hongming; Engkvist, Ola; Wang, Yinhai; Olivecrona, Marcus; Blaschke, Thomas;

The rise of deep learning in drug discovery

Abstract

Over the past decade, deep learning has achieved remarkable success in various artificial intelligence research areas. Evolved from the previous research on artificial neural networks, this technology has shown superior performance to other machine learning algorithms in areas such as image and voice recognition, natural language processing, among others. The first wave of applications of deep learning in pharmaceutical research has emerged in recent years, and its utility has gone beyond bioactivity predictions and has shown promise in addressing diverse problems in drug discovery. Examples will be discussed covering bioactivity prediction, de novo molecular design, synthesis prediction and biological image analysis.

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Keywords

Diagnostic Imaging, Machine Learning, Drug Discovery, Datasets as Topic, Neural Networks, Computer, "Marie Sklodowska-Curie Actions"

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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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