预测聚合酶链反应成功:整合k字序模型,双碱基的物理化学性质建模和支持向量机。

IF 1.7 4区 医学 Q4 BIOCHEMICAL RESEARCH METHODS Combinatorial chemistry & high throughput screening Pub Date : 2025-01-23 DOI:10.2174/0113862073351071250102100221
Long Yan, Yong Liu, Yan Yang
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引用次数: 0

摘要

自20世纪以来,聚合酶链反应(PCR)一直是一项关键的科学技术,在各个领域得到了广泛的应用。尽管它无处不在,但在有效扩增特定DNA模板方面仍然存在挑战。方法:虽然PCR实验程序已经获得了显著的关注,DNA模板的分析,这是实验的焦点,已明显被忽视。本研究解决了使用传统的基于Taq DNA聚合酶的PCR协议扩增DNA片段的不确定性。迫切需要表征DNA模板和设计预测PCR成功的可靠方法是强调。结果:在这项研究中,我们通过利用k字顺序和双碱基的物理化学性质建模,建立了一个代表DNA模板的72维特征向量。随后,采用支持向量机(SVM)模型对PCR结果进行评估。结论:采用折刀交叉验证法评价预期成功率,总体准确率为95.77%。敏感性95.75%,特异性95.79%,马修相关系数(MCC) 0.915。
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Predicting Polymerase Chain Reaction Success: Integrating the K-Word Order Model, Physicochemical Properties Modeling of Double Bases, and Support Vector Machine.

Introduction: Polymerase Chain Reaction (PCR) has been a pivotal scientific technique since the twentieth century, and it is widely applied across various domains. Despite its ubiquity, challenges persist in efficiently amplifying specific DNA templates.

Method: While PCR experimental procedures have garnered significant attention, the analysis of the DNA template, which is the experiment's focal point, has been notably overlooked. This study addresses the uncertainty surrounding the amplification of DNA fragments using conventional Taq DNA polymerase-based PCR protocols. The imperative need to characterize DNA templates and devise a reliable method for predicting PCR success is underscored.

Result: In this study, we formulate a 72-dimensional feature vector representing a DNA template through the utilization of k-word order and modeling of physicochemical properties of double bases. Subsequently, a Support Vector Machine (SVM) model is employed to assess PCR results.

Conclusion: A jackknife cross-validation test is used to evaluate the anticipated success rates, resulting in an overall accuracy of 95.77%. Sensitivity, specificity, and Matthew's Correlation Coefficient (MCC) stand at 95.75%, 95.79%, and 0.915, respectively.

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来源期刊
CiteScore
3.10
自引率
5.60%
发文量
327
审稿时长
7.5 months
期刊介绍: Combinatorial Chemistry & High Throughput Screening (CCHTS) publishes full length original research articles and reviews/mini-reviews dealing with various topics related to chemical biology (High Throughput Screening, Combinatorial Chemistry, Chemoinformatics, Laboratory Automation and Compound management) in advancing drug discovery research. Original research articles and reviews in the following areas are of special interest to the readers of this journal: Target identification and validation Assay design, development, miniaturization and comparison High throughput/high content/in silico screening and associated technologies Label-free detection technologies and applications Stem cell technologies Biomarkers ADMET/PK/PD methodologies and screening Probe discovery and development, hit to lead optimization Combinatorial chemistry (e.g. small molecules, peptide, nucleic acid or phage display libraries) Chemical library design and chemical diversity Chemo/bio-informatics, data mining Compound management Pharmacognosy Natural Products Research (Chemistry, Biology and Pharmacology of Natural Products) Natural Product Analytical Studies Bipharmaceutical studies of Natural products Drug repurposing Data management and statistical analysis Laboratory automation, robotics, microfluidics, signal detection technologies Current & Future Institutional Research Profile Technology transfer, legal and licensing issues Patents.
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