SMfinder: Small Molecules Finder for Metabolomics
and Lipidomics Analysis
Posted on 2020-06-16 - 19:42
Metabolomics and
lipidomics studies are becoming increasingly popular
but available tools for automated data analysis are still limited.
The major issue in untargeted metabolomics is linked to the lack of
efficient ranking methods allowing accurate identification of metabolites.
Herein, we provide a user-friendly open-source software, named SMfinder,
for the robust identification and quantification of small molecules.
The software introduces an MS2 false discovery rate approach, which
is based on single spectral permutation and increases identification
accuracy. SMfinder can be efficiently applied to shotgun and targeted
analysis in metabolomics and lipidomics without requiring extensive
in-house acquisition of standards as it provides accurate identification
by using available MS2 libraries in instrument independent manner.
The software, downloadable at www.ifom.eu/SMfinder, is suitable for untargeted, targeted,
and flux analysis.
CITE THIS COLLECTION
DataCiteDataCite
3 Biotech3 Biotech
3D Printing in Medicine3D Printing in Medicine
3D Research3D Research
3D-Printed Materials and Systems3D-Printed Materials and Systems
4OR4OR
AAPG BulletinAAPG Bulletin
AAPS OpenAAPS Open
AAPS PharmSciTechAAPS PharmSciTech
Abhandlungen aus dem Mathematischen Seminar der Universität HamburgAbhandlungen aus dem Mathematischen Seminar der Universität Hamburg
ABI Technik (German)ABI Technik (German)
Academic MedicineAcademic Medicine
Academic PediatricsAcademic Pediatrics
Academic PsychiatryAcademic Psychiatry
Academic QuestionsAcademic Questions
Academy of Management DiscoveriesAcademy of Management Discoveries
Academy of Management JournalAcademy of Management Journal
Academy of Management Learning and EducationAcademy of Management Learning and Education
Academy of Management PerspectivesAcademy of Management Perspectives
Academy of Management ProceedingsAcademy of Management Proceedings
Academy of Management ReviewAcademy of Management Review
Martano, Giuseppe; Leone, Michele; D’Oro, Pierluca; Matafora, Vittoria; Cattaneo, Angela; Masseroli, Marco; et al. (2020). SMfinder: Small Molecules Finder for Metabolomics
and Lipidomics Analysis. ACS Publications. Collection. https://doi.org/10.1021/acs.analchem.0c00585