4.6 Article

MESSAR: Automated recommendation of metabolite substructures from tandem mass spectra

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Biochemical Research Methods

Ms2lda.org: web-based topic modelling for substructure discovery in mass spectrometry

Joe Wandy et al.

BIOINFORMATICS (2018)

Article Biochemical Research Methods

InSourcerer: a high-throughput method to search for unknown metabolite modifications by mass spectrometry

Aida Mrzic et al.

RAPID COMMUNICATIONS IN MASS SPECTROMETRY (2017)

Article Multidisciplinary Sciences

Significance estimation for large scale metabolomics annotations by spectral matching

Kerstin Scheubert et al.

NATURE COMMUNICATIONS (2017)

Article Chemistry, Analytical

iMet: A Network-Based Computational Tool To Assist in the Annotation of Metabolites from Tandem Mass Spectra

Antoni Aguilar-Mogas et al.

ANALYTICAL CHEMISTRY (2017)

Article Biochemistry & Molecular Biology

PubChem Substance and Compound databases

Sunghwan Kim et al.

NUCLEIC ACIDS RESEARCH (2016)

Article Chemistry, Analytical

Defining and Detecting Complex Peak Relationships in Mass Spectral Data: The Mz.unity Algorithm

Nathaniel G. Mahieu et al.

ANALYTICAL CHEMISTRY (2016)

Article Biotechnology & Applied Microbiology

Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking

Mingxun Wang et al.

NATURE BIOTECHNOLOGY (2016)

Review Biotechnology & Applied Microbiology

Emerging applications of metabolomics in drug discovery and precision medicine

David S. Wishart

NATURE REVIEWS DRUG DISCOVERY (2016)

Article Multidisciplinary Sciences

Topic modeling for untargeted substructure exploration in metabolomics

Justin Johan Jozias van der Hooft et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2016)

Article Biochemical Research Methods

Molecular fingerprint similarity search in virtual screening

Adria Cereto-Massague et al.

METHODS (2015)

Article Multidisciplinary Sciences

Searching molecular structure databases with tandem mass spectra using CSI:FingerID

Kai Duehrkop et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2015)

Article Biochemical Research Methods

A primer to frequent itemset mining for bioinformatics

Stefan Naulaerts et al.

BRIEFINGS IN BIOINFORMATICS (2015)

Article Endocrinology & Metabolism

Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification

Felicity Allen et al.

METABOLOMICS (2015)

Review Chemistry, Analytical

Metabolomics in cancer biomarker discovery: Current trends and future perspectives

Emily G. Armitage et al.

JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS (2014)

Article Biochemical Research Methods

Efficient Reduction of Candidate Matches in Peptide Spectrum Library Searching Using the Top k Most Intense Peaks

Trung Nghia Vu et al.

JOURNAL OF PROTEOME RESEARCH (2014)

Article Plant Sciences

Molecular Networking as a Dereplication Strategy

Jane Y. Yang et al.

JOURNAL OF NATURAL PRODUCTS (2013)

Review Cell Biology

Metabolomics: the apogee of the omics trilogy

Gary J. Patti et al.

NATURE REVIEWS MOLECULAR CELL BIOLOGY (2012)

Article Biochemical Research Methods

Substructure-based annotation of high-resolution multistage MSn spectral trees

Lars Ridder et al.

RAPID COMMUNICATIONS IN MASS SPECTROMETRY (2012)

Article Chemistry, Medicinal

On the Art of Compiling and Using 'Drug-Like' Chemical Fragment Spaces

Joerg Degen et al.

CHEMMEDCHEM (2008)

Editorial Material Biochemical Research Methods

Assigning significance to peptides identified by tandem mass spectrometry using decoy databases

Lukas Kaell et al.

JOURNAL OF PROTEOME RESEARCH (2008)