2+ hour, 48+ min ago   (214+ words) In this article, we illustrate how automated calibration systems and sophisticated algorithms are transforming chemical data into actionable knowledge. What exactly is chemometrics, and how did it emerge as a distinct field of study? How has the methodology of scientific…...

14+ hour, 4+ min ago   (174+ words) A Symposium with a Historical Mission Turning Attention to Generative AI For Pittcon 2026, the Waters Symposium turns its focus toward a technology that is rapidly reshaping scientific practice across disciplines. Generative AI systems are increasingly being used for data interpretation,…...

3+ week, 5+ day ago   (313+ words) Raman spectroscopy and AI are used for microplastics detection. Micro- and nanoplastics persist through global waterways, food systems, and waste streams (7,15). Agriculture and Soil Chemistry: Precision Spectroscopy at Field Scale Cancer Immunotherapy Guided by Raman and AI Expanded Meaning of…...

4+ week, 2+ day ago   (623+ words) In this Spectroscopy blog post, Yang Liu, a Scientific Liaison for General Chapters at the United States Pharmacopeia (USP), discusses how data-driven methodologies are set to transform spectroscopy in 2026 and beyond, particularly in pharmaceutical analysis. The U. S. Pharmacopeia (USP) is a…...

2+ mon, 2+ week ago   (476+ words) This second part of the Recent Research in Chemometrics and AI for Spectroscopy article surveys current and emerging applications of artificial intelligence (AI) in spectroscopy, highlighting explainable AI (XAI), deep learning, and generative AI frameworks. Generative AI and Spectrum Synthesis…...

2+ mon, 2+ week ago   (585+ words) This first article in a two-part series introduces the foundations and terminology of AI as applied to chemometrics, defines key algorithmic approaches, and explores their growing role in spectral data analysis, model quantitative calibration, classification, and interpretability. The following definitions…...

3+ mon, 6+ day ago   (326+ words) A new perspective from researchers at the Karlsruhe Institute of Technology explores the evolving relationship between human expertise and artificial intelligence in polymer chemistry. From Alchemy to Automation: A Century of Polymer Progress The study argues that the future of…...

3+ mon, 1+ week ago   (155+ words) The Rise of Explainable AI in Spectroscopy Popular XAI Techniques in Spectral Analysis The review identifies several XAI methods that have been effectively utilized in spectroscopy: These techniques are favored for their ability to provide insights without necessitating modifications to…...

4+ mon, 3+ week ago   (320+ words) A new study demonstrates how a machine learning technique, quantile regression forest, can provide both accurate predictions and sample-specific uncertainty estimates from infrared spectroscopic data. The work was applied to soil and agricultural samples, highlighting its value for chemometric modeling....

6+ mon, 2+ week ago   (550+ words) A new review led by researchers from MIT and Oak Ridge National Laboratory outlines how artificial intelligence (AI) is transforming the study of molecular vibrations and phonons, making spectroscopic analysis faster, more accurate, and more accessible. Reimagining Atomic Vibrations Through…...