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1. IPscore IPscore Public

   Supporting information for article "Towards a harmonized identification scoring system in LC-HRMS/MS based non-target screening (NTS) of emerging contaminants"

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2. peakTrAMS peakTrAMS Public

   This package reads, processes and saves mzXML files. Moreover, it searches for common and unique features/peaks in HILIC-HRMS and RP-HRMS chromatograms.

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3. CECinBS CECinBS Public

   Contaminants of emerging concern in the Black Sea

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4. LCvsGC LCvsGC Public

   A multi-label classifier for predicting the most appropriate instrumental method for the analysis of contaminants of emerging concern

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5. MassBank-data MassBank-data Public

   Forked from MassBank/MassBank-data

   Official repository of open data MassBank records

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6. ChemicalMixtures ChemicalMixtures Public

   Network analysis visualization to demonstrate how data obtained from national and Europe-wide screening campaigns can be used to identify chemicals typically co-occurring in apex predators across E…

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