A brief review on quantum computing based drug design

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27240%2F24%3A10256314" target="_blank" >RIV/61989100:27240/24:10256314 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989100:27740/24:10256314

Výsledek na webu

<a href="https://wires.onlinelibrary.wiley.com/doi/10.1002/widm.1553" target="_blank" >https://wires.onlinelibrary.wiley.com/doi/10.1002/widm.1553</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/widm.1553" target="_blank" >10.1002/widm.1553</a>

Jazyk výsledku

angličtina

Název v původním jazyce

A brief review on quantum computing based drug design

Popis výsledku v původním jazyce

Design and development of new drug molecules are essential for the survival of human society. New drugs are designed for therapeutic purposes to combat new diseases. Besides treating new diseases, new drug development is also needed to treat pre-existing diseases more effectively and reduce the existing drugs&apos; side effects. The design of drugs involves several steps, from the discovery of the drug molecule to its commercialization in the market. One of the most critical steps in drug design is to find the molecular interactions between the target (infected) molecule and the drug molecule. Several complex chemical equations need to be solved to determine the molecular interactions. In the late 20th Century, the advancement of computational technologies has made the solution of chemical equations relatively easier and faster. Moreover, the design of drug molecules involves multi-criteria optimization. Classical computational methodologies have been used for drug design since the end of the 20th Century. However, nowadays, more advanced computational methodologies are inevitable in designing drugs for new diseases and drugs with fewer side effects. In this context, the quantum computing paradigm has proved beneficial in drug design due to its advanced computational capabilities. This paper presents a state-of-the-art comprehensive review of the quantum computing-based methodologies involved in drug design. A comparative study is made about the different quantum-aided drug design methods, stating each methodology&apos;s merits and demerits. The review work presented in this manuscript will help new researchers assess the present state-of-the-art concept of quantum-based drug design. This article is categorized under: Technologies &gt; Structure Discovery and Clustering Technologies &gt; Computational Intelligence Application Areas &gt; Health Care

Název v anglickém jazyce

A brief review on quantum computing based drug design

Popis výsledku anglicky

Design and development of new drug molecules are essential for the survival of human society. New drugs are designed for therapeutic purposes to combat new diseases. Besides treating new diseases, new drug development is also needed to treat pre-existing diseases more effectively and reduce the existing drugs&apos; side effects. The design of drugs involves several steps, from the discovery of the drug molecule to its commercialization in the market. One of the most critical steps in drug design is to find the molecular interactions between the target (infected) molecule and the drug molecule. Several complex chemical equations need to be solved to determine the molecular interactions. In the late 20th Century, the advancement of computational technologies has made the solution of chemical equations relatively easier and faster. Moreover, the design of drug molecules involves multi-criteria optimization. Classical computational methodologies have been used for drug design since the end of the 20th Century. However, nowadays, more advanced computational methodologies are inevitable in designing drugs for new diseases and drugs with fewer side effects. In this context, the quantum computing paradigm has proved beneficial in drug design due to its advanced computational capabilities. This paper presents a state-of-the-art comprehensive review of the quantum computing-based methodologies involved in drug design. A comparative study is made about the different quantum-aided drug design methods, stating each methodology&apos;s merits and demerits. The review work presented in this manuscript will help new researchers assess the present state-of-the-art concept of quantum-based drug design. This article is categorized under: Technologies &gt; Structure Discovery and Clustering Technologies &gt; Computational Intelligence Application Areas &gt; Health Care

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

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OECD FORD obor

10201 - Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)

Projekt

—

Návaznosti

O - Projekt operacniho programu

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Wiley Interdisciplinary Reviews-Data Mining and Knowledge Discovery

ISSN

1942-4787

e-ISSN

1942-4795

Svazek periodika

14

Číslo periodika v rámci svazku

6

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

36

Strana od-do

—

Kód UT WoS článku

001268637600001

EID výsledku v databázi Scopus

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