相关实验视频

Updated: Jul 11, 2026

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Published on: December 11, 2016

对SARS-CoV-2药物重定向的审查:数据库和机器学习模型

Marim Elkashlan¹, Rahaf M Ahmad¹, Malak Hajar¹

¹Health Data Science Lab, Department of Genetics and Genomics, College of Medical and Health Sciences, United Arab Emirates University, Al Ain, United Arab Emirates.

Frontiers in pharmacology

|August 21, 2023

概括

机器学习 (ML) 通过分析数据库,加速重症急性呼吸系统综合征冠状病毒2 (SARS-CoV-2) 的药物重新定位. 本综述涵盖了ML模型和数据库,用于识别潜在的SARS-CoV-2抑制剂.

科学领域:

计算生物学和生物信息学
药物的发现和开发.
传染病研究传染病研究.

背景情况:

严重急性呼吸系统综合征冠状病毒2 (SARS-CoV-2) 的全球威胁需要快速开发有效的抗病毒策略.
药物再利用提供了一种节省时间和成本的方法,以确定FDA批准的现有药物的新疗法应用.
机器学习 (ML) 在加速虚拟药物查和识别潜在抑制剂方面显示出显著的希望.

研究的目的:

对针对SARS-CoV-2的基于ML的药物重定向研究的频繁使用的数据库进行审查.
调查最近的ML模型,包括深度学习和传统方法,用于预测潜在的SARS-CoV-2抑制剂.
通过详细说明其特征和局限性,指导研究人员选择合适的数据库.

主要方法:

在ML驱动的SARS-CoV-2药物重定位中常用的数据库的文献综述.
对用于预测SARS-CoV-2抑制剂的最新ML模型 (深度学习和常规) 的系统审查.
对已审查的数据库和机器学习模型的方法,应用,特性和局限性的分析.

主要成果:

确定了关键数据库,这些数据库对于基于ML的SARS-CoV-2药物重新用途的数据提取至关重要.
总结了各种ML模型在预测潜在的SARS-CoV-2抑制剂中的性能和适用性.
提供了对研究不同数据源的优缺点的见解.

结论:

ML与适当的数据库相结合,是一种有效的药物重用策略,可以有效地对抗SARS-CoV-2.
审查的数据库和ML模型为旨在发现新型抗病毒疗法的研究人员提供了宝贵的资源.
有信息的数据库选择对于ML驱动的药物重用倡议的成功至关重要.

关键词:

这就是SARS-CoV-2病毒.人工智能的人工智能是人工智能.生物信息学是一种生物信息学.计算方法是一种计算方法.数据科学数据科学数据库就是数据库.药物重用是为了改变药物的用途.机器学习是机器学习.

更多相关视频

Live Imaging and Quantification of Viral Infection in K18 hACE2 Transgenic Mice Using Reporter-Expressing Recombinant SARS-CoV-2

Live Imaging and Quantification of Viral Infection in K18 hACE2 Transgenic Mice Using Reporter-Expressing Recombinant SARS-CoV-2

Published on: November 5, 2021

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

相关概念视频

Single Nucleotide Polymorphisms-SNPs

Single Nucleotide Polymorphisms-SNPs

A single nucleotide polymorphism or SNP is a single nucleotide variation at a specific genomic position in a large population. It is the most prevalent type of sequence variation found in the human genome. Point mutations that occur in more than 1% of the population qualify as SNPs. These are present once every 1000 nucleotides on an average in the human genome. Replacement of a purine with another purine (A/G) or a pyrimidine with another pyrimidine (C/T) is known as a transition. In contrast,...

Structure-Activity Relationships and Drug Design

Structure-Activity Relationships and Drug Design

Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...