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Current Medicinal Chemistry


ISSN (Print): 0929-8673
ISSN (Online): 1875-533X

Review Article

New Perspectives on Machine Learning in Drug Discovery

Author(s): Simona Musella, Giulio Verna, Alessio Fasano and Simone Di Micco*

Volume 28 , Issue 32 , 2021

Published on: 11 November, 2020

Page: [6704 - 6728] Pages: 25

DOI: 10.2174/0929867327666201111144048

Price: $65


Artificial intelligence methods, in particular, machine learning, has been playing a pivotal role in drug development, from structural design to the clinical trial. This approach is harnessing the impact of computer-aided drug discovery due to large available data sets for drug candidates and its new and complex manner of information interpretation to identify patterns for the study scope. In the present review, recent applications related to drug discovery and therapies are assessed, and limitations and future perspectives are analyzed.

Keywords: Machine learning, artificial intelligence, drug repurposing, virtual screening, ADMET, synthesis planning, personalized medicine, drug design.

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