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The importance of in-silico studies in drug discovery

The use of in-silico research in drug development is growing. Aspects of drug discovery and development, such as virtual ligand screening and profiling, target and lead finding, and compound library creation, are simulated by computational approaches. Databases, pharmacophores, homology models, quan...

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Main Authors:	Roney, Miah, Mohd Fadhlizil Fasihi, Mohd Aluwi
Format:	Article
Language:	English
Published:	Elsevier 2024
Subjects:	Q Science (General) RS Pharmacy and materia medica TP Chemical technology
Online Access:	http://umpir.ump.edu.my/id/eprint/40897/1/The%20importance%20of%20in-silico%20studies%20in%20drug%20discovery.pdf http://umpir.ump.edu.my/id/eprint/40897/ https://doi.org/10.1016/j.ipha.2024.01.010 https://doi.org/10.1016/j.ipha.2024.01.010
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id	my.ump.umpir.40897
record_format	eprints
spelling	my.ump.umpir.408972024-04-04T04:26:36Z http://umpir.ump.edu.my/id/eprint/40897/ The importance of in-silico studies in drug discovery Roney, Miah Mohd Fadhlizil Fasihi, Mohd Aluwi Q Science (General) RS Pharmacy and materia medica TP Chemical technology The use of in-silico research in drug development is growing. Aspects of drug discovery and development, such as virtual ligand screening and profiling, target and lead finding, and compound library creation, are simulated by computational approaches. Databases, pharmacophores, homology models, quantitative structure–activity connections, machine learning, data mining, network analysis tools, and computer-based data analysis tools are examples of in-silico techniques. These techniques are mostly applied in conjunction with the production of in vitro data to build models that facilitate the identification and refinement of new compounds by providing insight into their features related to absorption, distribution, metabolism, and excretion. Elsevier 2024-02 Article PeerReviewed pdf en cc_by_4 http://umpir.ump.edu.my/id/eprint/40897/1/The%20importance%20of%20in-silico%20studies%20in%20drug%20discovery.pdf Roney, Miah and Mohd Fadhlizil Fasihi, Mohd Aluwi (2024) The importance of in-silico studies in drug discovery. Intelligent Pharmacy. pp. 1-2. ISSN 2949-866X. (In Press / Online First) (In Press / Online First) https://doi.org/10.1016/j.ipha.2024.01.010 https://doi.org/10.1016/j.ipha.2024.01.010
institution	Universiti Malaysia Pahang Al-Sultan Abdullah
building	UMPSA Library
collection	Institutional Repository
continent	Asia
country	Malaysia
content_provider	Universiti Malaysia Pahang Al-Sultan Abdullah
content_source	UMPSA Institutional Repository
url_provider	http://umpir.ump.edu.my/
language	English
topic	Q Science (General) RS Pharmacy and materia medica TP Chemical technology
spellingShingle	Q Science (General) RS Pharmacy and materia medica TP Chemical technology Roney, Miah Mohd Fadhlizil Fasihi, Mohd Aluwi The importance of in-silico studies in drug discovery
description	The use of in-silico research in drug development is growing. Aspects of drug discovery and development, such as virtual ligand screening and profiling, target and lead finding, and compound library creation, are simulated by computational approaches. Databases, pharmacophores, homology models, quantitative structure–activity connections, machine learning, data mining, network analysis tools, and computer-based data analysis tools are examples of in-silico techniques. These techniques are mostly applied in conjunction with the production of in vitro data to build models that facilitate the identification and refinement of new compounds by providing insight into their features related to absorption, distribution, metabolism, and excretion.
format	Article
author	Roney, Miah Mohd Fadhlizil Fasihi, Mohd Aluwi
author_facet	Roney, Miah Mohd Fadhlizil Fasihi, Mohd Aluwi
author_sort	Roney, Miah
title	The importance of in-silico studies in drug discovery
title_short	The importance of in-silico studies in drug discovery
title_full	The importance of in-silico studies in drug discovery
title_fullStr	The importance of in-silico studies in drug discovery
title_full_unstemmed	The importance of in-silico studies in drug discovery
title_sort	importance of in-silico studies in drug discovery
publisher	Elsevier
publishDate	2024
url	http://umpir.ump.edu.my/id/eprint/40897/1/The%20importance%20of%20in-silico%20studies%20in%20drug%20discovery.pdf http://umpir.ump.edu.my/id/eprint/40897/ https://doi.org/10.1016/j.ipha.2024.01.010 https://doi.org/10.1016/j.ipha.2024.01.010
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score	13.235362

The importance of in-silico studies in drug discovery

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