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Selectivity in Nontargeted Qualitative Analysis

delete2024-12-01
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PRE
AI
A
Alexey L. Pomerantsev *
O
Oxana Ye. Rodionova
DOI:10.1016/j.aca.2024.343352delete
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摘要

摘要

En 中文
Background: The concept of selectivity is used extensively in analytical chemistry in both quantitative and qualitative analyses. While in the first case, the definition and use of selectivity have been somehow regulated, in the second case it remains a vague concept. Results: In this paper we propose a new definition of selectivity in qualitative analysis as well as the way to estimate it numerically. Significance: It is shown how selectivity can be used practically to compare analytical objects, measurement techniques, and data modeling methods.
Keyword:
Figures of merit
Analytical techniques
Data modeling
Probabilistic and deterministic methods
ROC
AUC

期刊

Analytica Chimica Acta 封面图
Analytica Chimica Acta
IF:
6
论文数:
3.3W
被引数:
6.1W

机构

R
russian academy of sciences
学者数:
9.1W
论文数: 6.0W
被引数: 60
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