介绍GitHub及其对人工智能驱动药物发现的重要性
Abdallah Abou Hajal1,2, Lana Bustanji1,2, Richard A Bryce3
1College of Pharmacy, Al Ain University, Abu Dhabi, United Arab Emirates.
GitHub对于AI药物发现至关重要,使代码共享和可重现的研究成为可能. 本报告为评估GitHub存储库提供了一个框架,以确保AI驱动的药物发现工作流程的科学严谨性和可靠性.
科学领域:
- 计算化学和化学信息学
- 药理学中的人工智能
- 生物信息学和计算生物学
背景情况:
- GitHub是人工智能驱动的药物发现的组成部分,支持代码共享和可重现的研究.
- 越来越多的人依赖GitHub,这就需要强大的存储库评估方法.
- 研究人员需要指导来识别,评估和重复使用在GitHub上托管的AI药物发现工具.
研究的目的:
- 总结与AI药物发现研究相关的关键GitHub概念.
- 提出一个实用的框架来评估 GitHub 存储库在这个领域.
- 在GitHub上分析药物发现库的趋势和主题密度.
主要方法:
- 总结了GitHub研究的基本功能 (存储库,文档,许可等). ) 的情况.
- 开发了一个导航和评估药物发现存储库的框架.
- 进行了Scopus趋势分析 (2013-2024) 和基于关键字的GitHub存储库计数.
主要成果:
- 在AI药物发现中,GitHub存储库是重要的研究成果.
- 存储库评估的基本标准包括文档,可重复性 (固定环境/容器),许可和自动化测试.
- 为了可靠的翻译和工业应用,需要加强验证和治理.
结论:
- 应该将GitHub存储库视为可以进行同行评估的研究成果.
- 实施清晰的文档,可复制性措施,许可和测试是至关重要的.
- 进一步验证和治理对于推动人工智能药物发现从探索到工业应用至关重要.
更多相关视频
03:08Using Human Differentially Expressed Gene Lists to Perform Downstream Pathway Enrichment Analysis and Target Prioritization
Published on: October 3, 2025
08:15Author Spotlight: Network Pharmacology and Molecular Docking to Decipher the Action of Jiawei Shengjiang San Against Diabetic Kidney Disease
Published on: May 10, 2024
相关概念视频
Drug Discovery: Overview
Issues And Trends In Healthcare Delivery System
Cost Containment
Payment for healthcare services has historically promoted adoption of costly and often unnecessary or inefficient...
Pharmacogenomics: Identification of New Drug Targets
Pharmacogenetics and Pharmacogenomics: Overview
Drug Clearance: Overview
Drug clearance is not limited to renal excretion but encompasses all organs involved in drug elimination, including...
Targets for Drug Action: Overview
Receptors are either membrane-spanning or intracellular proteins, which upon binding a ligand, get activated and transmit the signal downstream to elicit a response. Drugs bind receptors, either mimicking the action of endogenous ligands or blocking the receptor activity to bring about a modified response. Nearly 35% of approved drugs target the G...
