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Abstract
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.
Current Medicinal Chemistry
Title:New Perspectives on Machine Learning in Drug Discovery
Volume: 28 Issue: 32
Author(s): Simona Musella, Giulio Verna, Alessio Fasano and Simone Di Micco*
Affiliation:
- European Biomedical Research Institute of Salerno (EBRIS), Salerno,Italy
Keywords: Machine learning, artificial intelligence, drug repurposing, virtual screening, ADMET, synthesis planning, personalized medicine, drug design.
Abstract: 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.
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Cite this article as:
Musella Simona , Verna Giulio , Fasano Alessio and Di Micco Simone *, New Perspectives on Machine Learning in Drug Discovery, Current Medicinal Chemistry 2021; 28 (32) . https://dx.doi.org/10.2174/0929867327666201111144048
DOI https://dx.doi.org/10.2174/0929867327666201111144048 |
Print ISSN 0929-8673 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-533X |
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