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Title:

The search for sparse data in molecular datasets: Application of active learning to identify extremely low volatile organic compounds

Document type:
Zeitschriftenaufsatz
Author(s):
Besel, Vitus; Todorović, Milica; Kurtén, Theo; Vehkamäki, Hanna; Rinke, Patrick
Abstract:
The formation of aerosol particles in the atmosphere is driven by the gas to particle conversion of extremely low volatile organic compounds (ELVOC), organic compounds with a particularly low saturation vapor pressure (). Identifying ELVOCs and their chemical structures is both experimentally and theoretically challenging: Measuring the very low of ELVOCs is extremely difficult, and computing for these often large molecules is computationally costly. Moreover, ELVOCs are underrepresented in avai...     »
Journal title:
Journal of Aerosol Science 2024-06
Year:
2024
Journal volume:
179
Pages contribution:
106375
Fulltext / DOI:
doi:10.1016/j.jaerosci.2024.106375
Publisher:
Elsevier BV
E-ISSN:
0021-8502
Date of publication:
01.06.2024
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