从数据到发现：化学中的人工智能

IF 0.9 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Chemie in Unserer Zeit Pub Date : 2024-10-17 DOI:10.1002/ciuz.202400021

Prof. Dr. Franziska Hess

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引用次数: 0

摘要

人工智能（AI）在利用大型数据集中的复杂关系方面具有巨大的潜力。主要的挑战在于识别抽象数据中的相关特征，如分子、化合物或光谱。使用监督或非监督学习方法对模型进行训练和测试。主动学习和迭代过程提高了准确性。人工智能为研究和工业提供了精确预测和创新的潜力。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Von Daten zu Entdeckungen: Künstliche Intelligenz in der Chemie

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Von Daten zu Entdeckungen: Künstliche Intelligenz in der Chemie

Artificial Intelligence (AI) holds great potential in leveraging complex relationships within large datasets. The primary challenge lies in identifying relevant features in abstract data such as molecules, compounds or spectra. Models are trained and tested using supervised or unsupervised learning methods. Active learning and iterative processes enhance accuracy. AI offers the potential for precise predictions and innovation in both research and industry.

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来源期刊

Chemie in Unserer Zeit 化学-化学综合

CiteScore

0.70

自引率

75.00%

发文量

审稿时长

>12 weeks

期刊介绍： Chemie in unserer Zeit informiert zuverlässig über aktuelle Entwicklungen aus der Chemie und ihren Nachbardisziplinen. Der Leser erhält spannende Einblicke in alle Bereiche dieser zukunftsträchtigen Wissenschaft, dabei werden auch komplexe Sachverhalte verständlich aufbereitet. Namhafte Experten bringen Neuentwicklungen von großer Tragweite näher - farbig illustriert und leserfreundlich präsentiert. Von wissenschaftlichen Übersichten, studienbegleitenden Materialien, nachvollziehbaren Experimenten bis hin zu brisanten Themen aus Umweltchemie und aktueller gesellschaftlicher Diskussion. Übersichtsartikel und abwechslungsreiche Rubriken vermitteln Fachwissen auf unterhaltsame Art und geben eine Hilfe bei der Orientierung im Fachgebiet.