Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system
CNS disorders are indications with a very high unmet medical needs, relatively smaller number of available drugs, and a subpar satisfaction level among patients and caregiver. Discovery of CNS drugs is extremely expensive affair with its own unique challenges leading to extremely high attrition rate...
Saved in:
Main Authors: | , , , , |
---|---|
Format: | Article |
Published: |
Kluwer (now part of Springer)
2023
|
Subjects: | |
Online Access: | http://eprints.um.edu.my/39513/ |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Institution: | Universiti Malaya |
id |
my.um.eprints.39513 |
---|---|
record_format |
eprints |
spelling |
my.um.eprints.395132023-07-13T03:39:24Z http://eprints.um.edu.my/39513/ Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system Gautam, Vertika Gaurav, Anand Masand, Neeraj Lee, Vannajan Sanghiran Patil, Vaishali M. QD Chemistry QH301 Biology RS Pharmacy and materia medica CNS disorders are indications with a very high unmet medical needs, relatively smaller number of available drugs, and a subpar satisfaction level among patients and caregiver. Discovery of CNS drugs is extremely expensive affair with its own unique challenges leading to extremely high attrition rates and low efficiency. With explosion of data in information age, there is hardly any aspect of life that has not been touched by data driven technologies such as artificial intelligence (AI) and machine learning (ML). Drug discovery is no exception, emergence of big data via genomic, proteomic, biological, and chemical technologies has driven pharmaceutical giants to collaborate with AI oriented companies to revolutionise drug discovery, with the goal of increasing the efficiency of the process. In recent years many examples of innovative applications of AI and ML techniques in CNS drug discovery has been reported. Research on therapeutics for diseases such as schizophrenia, Alzheimer's and Parkinsonism has been provided with a new direction and thrust from these developments. AI and ML has been applied to both ligand-based and structure-based drug discovery and design of CNS therapeutics. In this review, we have summarised the general aspects of AI and ML from the perspective of drug discovery followed by a comprehensive coverage of the recent developments in the applications of AI/ML techniques in CNS drug discovery. GRAPHICS] . Kluwer (now part of Springer) 2023-04 Article PeerReviewed Gautam, Vertika and Gaurav, Anand and Masand, Neeraj and Lee, Vannajan Sanghiran and Patil, Vaishali M. (2023) Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system. Molecular Diversity, 27 (2). pp. 959-985. ISSN 1381-1991, DOI https://doi.org/10.1007/s11030-022-10489-3 <https://doi.org/10.1007/s11030-022-10489-3>. 10.1007/s11030-022-10489-3 |
institution |
Universiti Malaya |
building |
UM Library |
collection |
Institutional Repository |
continent |
Asia |
country |
Malaysia |
content_provider |
Universiti Malaya |
content_source |
UM Research Repository |
url_provider |
http://eprints.um.edu.my/ |
topic |
QD Chemistry QH301 Biology RS Pharmacy and materia medica |
spellingShingle |
QD Chemistry QH301 Biology RS Pharmacy and materia medica Gautam, Vertika Gaurav, Anand Masand, Neeraj Lee, Vannajan Sanghiran Patil, Vaishali M. Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system |
description |
CNS disorders are indications with a very high unmet medical needs, relatively smaller number of available drugs, and a subpar satisfaction level among patients and caregiver. Discovery of CNS drugs is extremely expensive affair with its own unique challenges leading to extremely high attrition rates and low efficiency. With explosion of data in information age, there is hardly any aspect of life that has not been touched by data driven technologies such as artificial intelligence (AI) and machine learning (ML). Drug discovery is no exception, emergence of big data via genomic, proteomic, biological, and chemical technologies has driven pharmaceutical giants to collaborate with AI oriented companies to revolutionise drug discovery, with the goal of increasing the efficiency of the process. In recent years many examples of innovative applications of AI and ML techniques in CNS drug discovery has been reported. Research on therapeutics for diseases such as schizophrenia, Alzheimer's and Parkinsonism has been provided with a new direction and thrust from these developments. AI and ML has been applied to both ligand-based and structure-based drug discovery and design of CNS therapeutics. In this review, we have summarised the general aspects of AI and ML from the perspective of drug discovery followed by a comprehensive coverage of the recent developments in the applications of AI/ML techniques in CNS drug discovery. GRAPHICS] . |
format |
Article |
author |
Gautam, Vertika Gaurav, Anand Masand, Neeraj Lee, Vannajan Sanghiran Patil, Vaishali M. |
author_facet |
Gautam, Vertika Gaurav, Anand Masand, Neeraj Lee, Vannajan Sanghiran Patil, Vaishali M. |
author_sort |
Gautam, Vertika |
title |
Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system |
title_short |
Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system |
title_full |
Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system |
title_fullStr |
Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system |
title_full_unstemmed |
Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system |
title_sort |
artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system |
publisher |
Kluwer (now part of Springer) |
publishDate |
2023 |
url |
http://eprints.um.edu.my/39513/ |
_version_ |
1772811759484141568 |