Tools for Synthesis Planning, Automation, and Analytical Data Analysis.

Q1 Earth and Planetary Sciences

Egyptian Journal of Petroleum Pub Date : 2023-02-22 DOI:10.2533/chimia.2023.17

Miruna Cretu, Marvin Alberts, Anubhab Chakraborty, Artem Leonov, Amol Thakkar, Teodoro Laino

引用次数: 0

Abstract

Computer-aided synthesis design, automation, and analytics assisted by machine learning are promising resources in the researcher's toolkit. Each component may alleviate the chemist from routine tasks, provide valuable insights from data, and enable more informed experimental design. Herein, we highlight selected works in the field and discuss the different approaches and the problems to which they may apply. We emphasize that there are currently few tools with a low barrier of entry for non-experts, which may limit widespread integration into the researcher's workflow.

查看原文本刊更多论文

综合规划、自动化和分析数据分析工具。

计算机辅助合成设计、自动化和由机器学习辅助的分析是研究人员工具包中有前途的资源。每个组件都可以减轻化学家的日常工作，从数据中提供有价值的见解，并使更明智的实验设计。在这里，我们重点介绍了该领域的一些作品，并讨论了不同的方法和它们可能适用的问题。我们强调，目前很少有非专家进入门槛较低的工具，这可能会限制广泛集成到研究人员的工作流程中。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Egyptian Journal of Petroleum Earth and Planetary Sciences-Geochemistry and Petrology

CiteScore

7.70

自引率

0.00%

发文量

审稿时长

84 days

期刊介绍： Egyptian Journal of Petroleum is addressed to the fields of crude oil, natural gas, energy and related subjects. Its objective is to serve as a forum for research and development covering the following areas: • Sedimentation and petroleum exploration. • Production. • Analysis and testing. • Chemistry and technology of petroleum and natural gas. • Refining and processing. • Catalysis. • Applications and petrochemicals. It also publishes original research papers and reviews in areas relating to synthetic fuels and lubricants - pollution - corrosion - alternate sources of energy - gasification, liquefaction and geology of coal - tar sands and oil shale - biomass as a source of renewable energy. To meet with these requirements the Egyptian Journal of Petroleum welcomes manuscripts and review papers reporting on the state-of-the-art in the aforementioned topics. The Egyptian Journal of Petroleum is also willing to publish the proceedings of petroleum and energy related conferences in a single volume form.