An innovative web-based integrated catalyst informatics platform, Catalyst Acquisition by Data Science (CADS), is developed for use towards the discovery and design of catalysts. The platform provides three main functionalities: a repository for data sharing and publishing, an analytic workspace for exploratory visual analysis, and catalyst property prediction tools with pretrained machine learning models. Access to such a platform helps decrease barriers to entry faced by researchers in catalytic chemistry when attempting to apply catalyst informatics towards data by providing analytical and visualization tools that can be simultaneously applied and easily accessed within a central space, thereby helping the advancement of catalyst informatics. The developed platform allows researchers to upload and collect data onto the platform and conduct data analysis using a system of linked workspaces consisting of interactive visualization tools and machine learning tools that simultaneously update according to the researchers' actions in real time. The platform also provides a space for collaboration where researchers can choose to publish their uploaded data and resulting analyses to the platform for collaborations with other users and groups. As an example, CADS is applied towards oxidative coupling of methane (OCM) data where use of the platform tools reveals underlying patterns and trends that are otherwise hidden within the original data. Thus, the proposed platform contributes towards the advancement of catalyst informatics for both specialists and non-specialists.

中文翻译：

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数据科学（CADS）进行催化剂收购：基于网络的催化剂信息学平台，用于发现催化剂

开发了一种基于网络的创新型集成催化剂信息学平台，即数据科学的催化剂收购（CADS），可用于发现和设计催化剂。该平台提供了三个主要功能：用于数据共享和发布的存储库，用于探索性视觉分析的分析工作区以及具有预训练的机器学习模型的催化剂性能预测工具。通过提供可在中央空间内同时应用和轻松访问的分析和可视化工具，尝试使用此类平台时，访问此类平台有助于减少催化化学研究人员在尝试将催化剂信息学应用于数据时面临的进入壁垒。 。开发的平台允许研究人员将数据上传并收集到平台上，并使用由交互式可视化工具和机器学习工具组成的链接工作区系统进行数据分析，这些工作区会根据研究人员的实时行为同时进行更新。该平台还提供了一个协作空间，研究人员可以选择将其上传的数据和结果分析发布到平台上，以便与其他用户和组进行协作。例如，CADS用于甲烷的氧化偶联（OCM）数据，其中使用平台工具可以揭示原始数据中隐藏的潜在模式和趋势。因此，提出的平台有助于专家和非专家的催化剂信息学的发展。