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Survey of Machine Learning Techniques in Drug Discovery

[ Vol. 20 , Issue. 3 ]

Author(s):

Natalie Stephenson, Emily Shane, Jessica Chase, Jason Rowland, David Ries, Nicola Justice, Jie Zhang, Leong Chan and Renzhi Cao*   Pages 185 - 193 ( 9 )

Abstract:


Background: Drug discovery, which is the process of discovering new candidate medications, is very important for pharmaceutical industries. At its current stage, discovering new drugs is still a very expensive and time-consuming process, requiring Phases I, II and III for clinical trials. Recently, machine learning techniques in Artificial Intelligence (AI), especially the deep learning techniques which allow a computational model to generate multiple layers, have been widely applied and achieved state-of-the-art performance in different fields, such as speech recognition, image classification, bioinformatics, etc. One very important application of these AI techniques is in the field of drug discovery.

Methods: We did a large-scale literature search on existing scientific websites (e.g, ScienceDirect, Arxiv) and startup companies to understand current status of machine learning techniques in drug discovery.

Results: Our experiments demonstrated that there are different patterns in machine learning fields and drug discovery fields. For example, keywords like prediction, brain, discovery, and treatment are usually in drug discovery fields. Also, the total number of papers published in drug discovery fields with machine learning techniques is increasing every year.

Conclusion: The main focus of this survey is to understand the current status of machine learning techniques in the drug discovery field within both academic and industrial settings, and discuss its potential future applications. Several interesting patterns for machine learning techniques in drug discovery fields are discussed in this survey.

Keywords:

Drug discovery, artificial intelligence, machine learning, deep learning, drug development, pharmacology.

Affiliation:

Department of Computer Science, Pacific Lutheran University, Tacoma, WA 98447, Department of Computer Science, Pacific Lutheran University, Tacoma, WA 98447, Department of Computer Science, Pacific Lutheran University, Tacoma, WA 98447, Department of Computer Science, Pacific Lutheran University, Tacoma, WA 98447, Department of Computer Science, Pacific Lutheran University, Tacoma, WA 98447, Department of Mathematics, Pacific Lutheran University, Tacoma, WA 98447, Key Laboratory of Hebei Province for Plant Physiology and Molecular Pathology, College of Life Sciences, Hebei Agricultural University, Baoding, School of Business, Pacific Lutheran University, Tacoma, WA 98447, Department of Computer Science, Pacific Lutheran University, Tacoma, WA 98447

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