HTE OS：从头开始构建的高通量实验工作流程

IF 3.1 3区化学 Q2 CHEMISTRY, APPLIED Organic Process Research & Development Pub Date : 2024-06-27 DOI:10.1021/acs.oprd.4c00160

Georg Wuitschik, Vera Jost, Torsten Schindler, Michal Jakubik

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引用次数: 0

摘要

HTE OS 是一个免费、开源的高通量实验工作流程，可为从业人员提供从实验提交到结果展示的全程支持。一个核心的谷歌工作表负责反应计划和执行，以及与用户和机器人的交流。所有生成的数据都被导入 Spotfire，由用户进行分析。用于解析 LCMS 数据和翻译化学标识符的工具提供了数据整理功能，以完善工作流程。

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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HTE OS: A High-Throughput Experimentation Workflow Built from the Ground Up

HTE OS is a free, open-source high-throughput experimentation workflow that supports practitioners from experiment submission all the way to results presentation. A core Google Sheet is responsible for reaction planning and execution as well as for communication with users and robots. All generated data are funneled into Spotfire where users analyze it. Tools for parsing of LCMS data and translation of chemical identifiers provide data-wrangling capabilities to complete the workflow.

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来源期刊

Organic Process Research & Development 化学-应用化学

CiteScore

6.90

自引率

14.70%

发文量

251

审稿时长

2 months

期刊介绍： The journal Organic Process Research & Development serves as a communication tool between industrial chemists and chemists working in universities and research institutes. As such, it reports original work from the broad field of industrial process chemistry but also presents academic results that are relevant, or potentially relevant, to industrial applications. Process chemistry is the science that enables the safe, environmentally benign and ultimately economical manufacturing of organic compounds that are required in larger amounts to help address the needs of society. Consequently, the Journal encompasses every aspect of organic chemistry, including all aspects of catalysis, synthetic methodology development and synthetic strategy exploration, but also includes aspects from analytical and solid-state chemistry and chemical engineering, such as work-up tools，process safety, or flow-chemistry. The goal of development and optimization of chemical reactions and processes is their transfer to a larger scale; original work describing such studies and the actual implementation on scale is highly relevant to the journal. However, studies on new developments from either industry, research institutes or academia that have not yet been demonstrated on scale, but where an industrial utility can be expected and where the study has addressed important prerequisites for a scale-up and has given confidence into the reliability and practicality of the chemistry, also serve the mission of OPR&D as a communication tool between the different contributors to the field.