MuTATE-an R package for comprehensive multi-objective molecular modeling.

IF 4.4 3区 生物学 Q1 BIOCHEMICAL RESEARCH METHODS Bioinformatics Pub Date : 2023-09-02 DOI:10.1093/bioinformatics/btad507
Sarah G Ayton, Víctor Treviño
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Abstract

Motivation: Comprehensive multi-omics studies have driven advances in disease modeling for effective precision medicine but pose a challenge for existing machine-learning approaches, which have limited interpretability across clinical endpoints. Automated, comprehensive disease modeling requires a machine-learning approach that can simultaneously identify disease subgroups and their defining molecular biomarkers by explaining multiple clinical endpoints. Current tools are restricted to individual endpoints or limited variable types, necessitate advanced computation skills, and require resource-intensive manual expert interpretation.

Results: We developed Multi-Target Automated Tree Engine (MuTATE) for automated and comprehensive molecular modeling, which enables user-friendly multi-objective decision tree construction and visualization of relationships between molecular biomarkers and patient subgroups characterized by multiple clinical endpoints. MuTATE incorporates multiple targets throughout model construction and allows for target weights, enabling construction of interpretable decision trees that provide insights into disease heterogeneity and molecular signatures. MuTATE eliminates the need for manual synthesis of multiple non-explainable models, making it highly efficient and accessible for bioinformaticians and clinicians. The flexibility and versatility of MuTATE make it applicable to a wide range of complex diseases, including cancer, where it can improve therapeutic decisions by providing comprehensive molecular insights for precision medicine. MuTATE has the potential to transform biomarker discovery and subtype identification, leading to more effective and personalized treatment strategies in precision medicine, and advancing our understanding of disease mechanisms at the molecular level.

Availability and implementation: MuTATE is freely available at GitHub (https://github.com/SarahAyton/MuTATE) under the GPLv3 license.

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mutate -一个用于综合多目标分子建模的R包。
动机:全面的多组学研究推动了有效精准医学疾病建模的进步,但对现有的机器学习方法提出了挑战,这些方法在临床终点的可解释性有限。自动化、全面的疾病建模需要一种机器学习方法,该方法可以通过解释多个临床终点同时识别疾病亚组及其定义的分子生物标志物。当前的工具仅限于单个端点或有限的变量类型,需要高级计算技能,并且需要资源密集型的人工专家解释。结果:我们开发了多目标自动化树引擎(MuTATE),用于自动化和全面的分子建模,支持用户友好的多目标决策树构建和可视化分子生物标志物与具有多个临床终点特征的患者亚组之间的关系。MuTATE在整个模型构建过程中包含多个目标,并允许目标权重,从而能够构建可解释的决策树,从而深入了解疾病异质性和分子特征。MuTATE消除了人工合成多个不可解释模型的需要,使生物信息学家和临床医生能够高效地使用它。MuTATE的灵活性和多功能性使其适用于广泛的复杂疾病,包括癌症,它可以通过为精准医学提供全面的分子见解来改善治疗决策。MuTATE有可能改变生物标志物的发现和亚型鉴定,在精准医学中导致更有效和个性化的治疗策略,并在分子水平上推进我们对疾病机制的理解。可用性和实现:MuTATE在GPLv3许可下可在GitHub (https://github.com/SarahAyton/MuTATE)免费获得。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Bioinformatics
Bioinformatics 生物-生化研究方法
CiteScore
11.20
自引率
5.20%
发文量
753
审稿时长
2.1 months
期刊介绍: The leading journal in its field, Bioinformatics publishes the highest quality scientific papers and review articles of interest to academic and industrial researchers. Its main focus is on new developments in genome bioinformatics and computational biology. Two distinct sections within the journal - Discovery Notes and Application Notes- focus on shorter papers; the former reporting biologically interesting discoveries using computational methods, the latter exploring the applications used for experiments.
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