A machine learning approach for handling big data produced by high resolution mass spectrometry after data independent acquisition of small molecules – Proof of concept study using an artificial neural network for sample classification-Reference-Cited by-同舟云学术

A machine learning approach for handling big data produced by high resolution mass spectrometry after data independent acquisition of small molecules – Proof of concept study using an artificial neural network for sample classification

Published:2020-02-06 Issue:6 Volume:12 Page:836-845
ISSN:1942-7603
Container-title:Drug Testing and Analysis
language:en
Short-container-title:Drug Test Anal

Author:

Streun Gabriel L.¹,Elmiger Marco P.¹,Dobay Akos²³^ORCID,Ebert Lars³^ORCID,Kraemer Thomas¹^ORCID

Affiliation:

1. Department of Forensic Pharmacology and Toxicology, Zurich Institute of Forensic MedicineUniversity of Zurich Zurich Switzerland

2. Department of Forensic Genetics, Zurich Institute of Forensic MedicineUniversity of Zurich Zurich Switzerland

3. Department of Forensic Imaging/Virtopsy, Zurich Institute of Forensic MedicineUniversity of Zurich Zurich Switzerland

Publisher

Wiley

Subject

Spectroscopy,Pharmaceutical Science,Environmental Chemistry,Analytical Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/dta.2775

Reference30 articles.

1. LC-MS vs. GC-MS, Online Extraction Systems, Advantages of Technology for Drug Screening Assays

2. Role of liquid chromatography–high-resolution mass spectrometry (LC-HR/MS) in clinical toxicology

3. Rapid automated screening, identification and quantification of organic micro-contaminants and their main transformation products in wastewater and river waters using liquid chromatography–quadrupole-time-of-flight mass spectrometry with an accurate-mass database

4. Targeted and non-targeted drug screening in whole blood by UHPLC-TOF-MS with data-independent acquisition

5. What is the future of (ultra) high performance liquid chromatography coupled to low and high resolution mass spectrometry for toxicological drug screening?

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