Chemical Stripes; PubChem; Cheminformatics; Data Visualization; Exposomics; Early Warning System; Patent Analysis
Abstract :
[en] Understanding historical chemical usage is crucial for assessing current and past impacts on human health and the environment and for informing future regulatory decisions. However, past monitoring data are often limited in scope and number of chemicals, while suitable sample types are not always available for remeasurement. Data-driven cheminformatics methods for patent and literature data offer several opportunities to fill this gap. The chemical stripes were developed as an interactive, open source tool for visualizing patent and literature trends over time, inspired by the global warming and biodiversity stripes. This paper details the underlying code and data sets behind the visualization, with a major focus on the patent data sourced from PubChem, including patent origins, uses, and countries. Overall trends and specific examples are investigated in greater detail to explore both the promise and caveats that such data offer in assessing the trends and patterns of chemical patents over time and across different geographic regions. Despite a number of potential artifacts associated with patent data extraction, the integration of cheminformatics, statistical analysis, and data visualization tools can help generate valuable insights that can both illuminate the chemical past and potentially serve toward an early warning system for the future.
Research center :
Luxembourg Centre for Systems Biomedicine (LCSB): Environmental Cheminformatics (Schymanski Group) National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, Maryland 20894, United States Faculty of Science, Technology and Medicine (FSTM), University of Luxembourg, 6 Avenue de la Fonte, L-4364 Esch-sur-Alzette, Luxembourg
de Jesus Matias, Flavio ; Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 Avenue du Swing, Belvaux L-4367, Luxembourg ; Faculty of Science, Technology and Medicine (FSTM), University of Luxembourg, 6 Avenue de la Fonte, L-4364 Esch-sur-Alzette, Luxembourg
Thiessen, Paul A. ; National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, Maryland 20894, United States
FNR12341006 - Environmental Cheminformatics To Identify Unknown Chemicals And Their Effects, 2018 (01/10/2018-30/09/2023) - Emma Schymanski
Name of the research project :
R-AGR-3703 - IAS - LuxTIME - FICKERS Andreas
Funders :
Fonds National de la Recherche Luxembourg Luxembourg Institute for Advanced Studies (IAS) National Center for Biotechnology Information of the National Library of Medicine (NLM)
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