MassVision: An Open-Source End-to-End Platform for AI-Driven Mass Spectrometry Imaging Analysis

化学 工作流程 可扩展性 接口(物质) 软件部署 质谱成像 集合(抽象数据类型) 钥匙(锁) 数据挖掘 数据集 维数之咒 可视化 数据科学 数据探索 文件格式 软件工程 探索性数据分析 数据操作语言 强迫(数学) 用户界面 图形用户界面 数据格式 空间分析 探索性分析 数据集成 数据库 分布式计算 系统工程 数据可视化 数据分析 人机交互 生物学数据 数据存取 信息基础设施 可用性 软件 计算机科学
作者
Amoon Jamzad,Jade Warren,Ayesha Syeda,Martin Kaufmann,Natasha Iaboni,Christopher J.B. Nicol,John F. Rudan,Kevin Ren,David Hurlbut,Sonal Varma,Gábor Fichtinger,Parvin Mousavi
出处
期刊:Analytical Chemistry [American Chemical Society]
卷期号:97 (39): 21588-21597 被引量:1
标识
DOI:10.1021/acs.analchem.5c04018
摘要

Mass spectrometry imaging (MSI) combines spatial and spectral data to reveal detailed molecular compositions within biological samples. Despite their immense potential, MSI workflows are hindered by the complexity and high dimensionality of the data, making their analysis computationally intensive and often requiring expertise in coding. Existing tools frequently lack the integration needed for seamless, scalable, and end-to-end workflows, forcing researchers to rely on local solutions or multiple platforms, which hinders efficiency and accessibility. We introduce MassVision, a comprehensive software platform for MSI analysis. Built on the 3D Slicer ecosystem, MassVision integrates MSI-specific functionalities while addressing general user requirements for accessibility and usability. Its intuitive interface lowers barriers for researchers with varying levels of computational expertise, while its scalability supports high-throughput studies and multislide data sets. Key functionalities include visualization, segmentation, colocalization, data set curation, data set merging, spectral and spatial preprocessing, statistical analysis, AI model training, and AI deployment on full MSI data. We detail the workflow and functionalities of MassVision and demonstrate its effectiveness through different experimental use cases such as exploratory data analysis, ion identification, and tissue-type classification on in-house and publicly available data from different MSI modalities. These use cases underscore MassVision's ability to seamlessly integrate MSI data handling steps into a single platform and highlight its potential to reveal new insights and structures when examining biological samples. By combining cutting-edge functionality with user-centric design, MassVision addresses longstanding challenges in MSI data analysis and provides a robust tool for advancing the user's ability to achieve biologically meaningful insights from MSI data. MassVision is freely available via 3D Slicer (documentation: https://SlicerMassVision.readthedocs.io/). The in-house MSI data have been made publicly available in MetaboLights with the identifier MTBLS12868.
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