Interest of molecular networking in fundamental, clinical and forensic toxicology: A state-of-the-art review

Molecular networking (MN) is a bioinformatic approach that organizes tandem mass spectrometry (MS/MS) datasets and allows for its efficient visualization and exploration. In recent years, MN has been transposed from the fields of natural product analysis to toxicological studies of xenobiotics. Here, we review emerging trends in MN applications in clinical, forensic and fundamental toxicology. We highlight the strengths and limitations of MN in each field. Lastly, we provide guidance on the use of MN in fundamental toxicology and routine toxicological testing and discuss perspectives for added-value applications of MN in preclinical drug development. •Molecular networking (MN) is a bioinformatic approach that organizes tandem mass spectrometry (MS/MS) datasets.•MN has been transposed from the fields of natural product analysis to toxicological studies of xenobiotics in recent years.•In a clinical context, MN enables the identification of new consumption markers.•In forensics, MN can be used to investigate intoxication as a potential cause of death.•In fundamental toxicology research, MN enables the efficient exploration of the metabolism of xenobiotics.