List of works - Mingxun Wang

A Convolutional Neural Network-Based Approach for the Rapid Annotation of Molecularly Diverse Natural Products

scientific article published on 21 February 2020

A MassQL-Integrated Molecular Networking Approach for the Discovery and Substructure Annotation of Bioactive Cyclic Peptides

A Multi-Omics Characterization of the Natural Product Potential of Tropical Filamentous Marine Cyanobacteria

scientific article published on 06 January 2021

A community resource for paired genomic and metabolomic data mining

scientific article published in 2021

A proteomics sample metadata representation for multiomics integration and big data analysis

scientific article published in 2021

Assembling the Community-Scale Discoverable Human Proteome

scientific article published on 29 August 2018

Author Correction: Reproducible, interactive, scalable and extensible microbiome data science using QIIME 2

scientific article published on 01 September 2019

Auto-deconvolution and molecular networking of gas chromatography-mass spectrometry data

scientific article published on 09 November 2020

Automated genome mining of ribosomal peptide natural products

scientific article

Bioactivity-Based Molecular Networking for the Discovery of Drug Leads in Natural Product Bioassay-Guided Fractionation.

scientific article published on 2 March 2018

Chemical Gradients of Plant Substrates in an <i>Atta texana</i> Fungus Garden

scientific article published on 03 August 2021

Chemical Proportionality within Molecular Networks

scientific article published in 2021

Chemically informed analyses of metabolomics mass spectrometry data with Qemistree

scientific article published on 16 November 2020

Comparison of Cosine, Modified Cosine, and Neutral Loss Based Spectrum Alignment For Discovery of Structurally Related Molecules

scientific article published in 2022

Detection of Ovarian Cancer Using Samples Sourced from the Vaginal Microenvironment

scientific article published on 02 December 2019

Digitizing mass spectrometry data to explore the chemical diversity and distribution of marine cyanobacteria and algae

scientific article

Discovering and linking public omics data sets using the Omics Discovery Index.

scientific article

Enhancing untargeted metabolomics using metadata-based source annotation

scientific article published in 2022

Feature-based molecular networking in the GNPS analysis environment

scientific article published on 24 August 2020

Fungal-bacterial interaction selects for quorum sensing mutants with increased production of natural antifungal compounds

scientific article published on 12 November 2020

GNPS Dashboard: collaborative exploration of mass spectrometry data in the web browser

scientific article published on 03 December 2021

Global chemical effects of the microbiome include new bile-acid conjugations

scientific article published on 26 February 2020

Heterogeneous multimeric metabolite ion species observed in LC-MS based metabolomics data sets

scientific article published in 2022

Initial Development toward Non-Invasive Drug Monitoring via Untargeted Mass Spectrometric Analysis of Human Skin

scientific article published on 10 June 2019

Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment

scientific article

Learning representations of microbe-metabolite interactions

scientific article published on 04 November 2019

Lifestyle chemistries from phones for individual profiling

scientific article (publication date: 29 November 2016)

Mass spectrometry searches using MASST

scientific article published on 01 January 2020

MolNetEnhancer: Enhanced Molecular Networks by Integrating Metabolome Mining and Annotation Tools

scientific article published on 16 July 2019

MolNetEnhancer: enhanced molecular networks by integrating metabolome mining and annotation tools

scientific article published on 31 May 2019

Molecular and Microbial Microenvironments in Chronically Diseased Lungs Associated with Cystic Fibrosis

scientific article published on 24 September 2019

Molecular cartography of the human skin surface in 3D

scientific article published on 30 March 2015

Molecular networking and pattern-based genome mining improves discovery of biosynthetic gene clusters and their products from Salinispora species ⬇️

scientific article published on 9 April 2015

NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products

scientific article published on 20 October 2021

NPOmix: A machine learning classifier to connect mass spectrometry fragmentation data to biosynthetic gene clusters

NPOmix: a machine learning classifier to connect mass spectrometry fragmentation data to biosynthetic gene clusters

scientific article published on 6 October 2021

Native metabolomics identifies the rivulariapeptolide family of protease inhibitors ⬇️

scientific article published in 2022

Non-target tandem mass spectrometry enables the prioritization of anthropogenic pollutants in seawater along the northern San Diego coast

Non-targeted tandem mass spectrometry enables the visualization of organic matter chemotype shifts in coastal seawater

scientific article

Omics Discovery Index - Discovering and Linking Public Omics Datasets

Propagating annotations of molecular networks using in silico fragmentation

scientific article published on 18 April 2018

Protocol for community-created public MS/MS reference spectra within the Global Natural Products Social Molecular Networking infrastructure

scientific article published on 13 January 2020

QIIME 2: Reproducible, interactive, scalable, and extensible microbiome data science

Qiita: rapid, web-enabled microbiome meta-analysis

scientific article published on 01 October 2018

Quick-start infrastructure for untargeted metabolomics analysis in GNPS

scientific article published in 2021

ReDU: a framework to find and reanalyze public mass spectrometry data

scientific article published on 17 August 2020

Reproducible Molecular Networking Of Untargeted Mass Spectrometry Data Using GNPS

scholarly article published 8 August 2019

Reproducible molecular networking of untargeted mass spectrometry data using GNPS

scientific article published on 13 May 2020

Reproducible, interactive, scalable and extensible microbiome data science using QIIME 2

scientific article published on 01 August 2019

Reverse metabolomics for the discovery of chemical structures from humans

SIMILE enables alignment of tandem mass spectra with statistical significance

scientific article published on 06 May 2022

SPLASH, a hashed identifier for mass spectra ⬇️

scientific article

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

scientific article (publication date: 9 August 2016)

Significance estimation for large scale metabolomics annotations by spectral matching

scientific article published on 14 November 2017

Spectral library generating function for assessing spectrum-spectrum match significance

scientific article

SweetNET: A Bioinformatics Workflow for Glycopeptide MS/MS Spectral Analysis

scientific article published on 11 July 2016

TIMSCONVERT: a workflow to convert trapped ion mobility data to open data formats

scientific article published in 2022

Tandem Mass Spectrometry Molecular Networking as a Powerful and Efficient Tool for Drug Metabolism Studies

scientific article published in 2022

The Natural Products Atlas: An Open Access Knowledge Base for Microbial Natural Products Discovery

scientific article published on 14 November 2019

The ProteomeXchange consortium in 2017: supporting the cultural change in proteomics public data deposition

scientific article

Three Dimensional Cartography of Microbiome and Metabolome Data onto Radiological Images of the Human Lung

scientific article published in 2018

Three-Dimensional Microbiome and Metabolome Cartography of a Diseased Human Lung

scientific article published on 17 October 2017

Unified and Standardized Mass Spectrometry Data Processing in Python Using spectrum_utils

scientific article published in 2023

Whole Cell MALDI Fingerprinting Is a Robust Tool for Differential Profiling of Two-Component Mammalian Cell Mixtures

scientific article published on 23 October 2018

foodMASST a mass spectrometry search tool for foods and beverages

scientific article published on 20 April 2022

microbeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data ⬇️

scientific article published in 2024

List of works by Mingxun Wang

A Convolutional Neural Network-Based Approach for the Rapid Annotation of Molecularly Diverse Natural Products

A MassQL-Integrated Molecular Networking Approach for the Discovery and Substructure Annotation of Bioactive Cyclic Peptides

A Multi-Omics Characterization of the Natural Product Potential of Tropical Filamentous Marine Cyanobacteria

A community resource for paired genomic and metabolomic data mining

A proteomics sample metadata representation for multiomics integration and big data analysis

Assembling the Community-Scale Discoverable Human Proteome

Author Correction: Reproducible, interactive, scalable and extensible microbiome data science using QIIME 2

Auto-deconvolution and molecular networking of gas chromatography-mass spectrometry data

Automated genome mining of ribosomal peptide natural products

Bioactivity-Based Molecular Networking for the Discovery of Drug Leads in Natural Product Bioassay-Guided Fractionation.

Chemical Gradients of Plant Substrates in an <i>Atta texana</i> Fungus Garden

Chemical Proportionality within Molecular Networks

Chemically informed analyses of metabolomics mass spectrometry data with Qemistree

Comparison of Cosine, Modified Cosine, and Neutral Loss Based Spectrum Alignment For Discovery of Structurally Related Molecules

Detection of Ovarian Cancer Using Samples Sourced from the Vaginal Microenvironment

Digitizing mass spectrometry data to explore the chemical diversity and distribution of marine cyanobacteria and algae

Discovering and linking public omics data sets using the Omics Discovery Index.

Enhancing untargeted metabolomics using metadata-based source annotation

Feature-based molecular networking in the GNPS analysis environment

Fungal-bacterial interaction selects for quorum sensing mutants with increased production of natural antifungal compounds

GNPS Dashboard: collaborative exploration of mass spectrometry data in the web browser

Global chemical effects of the microbiome include new bile-acid conjugations

Heterogeneous multimeric metabolite ion species observed in LC-MS based metabolomics data sets

Initial Development toward Non-Invasive Drug Monitoring via Untargeted Mass Spectrometric Analysis of Human Skin

Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment

Learning representations of microbe-metabolite interactions

Lifestyle chemistries from phones for individual profiling

Mass spectrometry searches using MASST

MolNetEnhancer: Enhanced Molecular Networks by Integrating Metabolome Mining and Annotation Tools

MolNetEnhancer: enhanced molecular networks by integrating metabolome mining and annotation tools

Molecular and Microbial Microenvironments in Chronically Diseased Lungs Associated with Cystic Fibrosis

Molecular cartography of the human skin surface in 3D

Molecular networking and pattern-based genome mining improves discovery of biosynthetic gene clusters and their products from Salinispora species ⬇️

NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products

NPOmix: A machine learning classifier to connect mass spectrometry fragmentation data to biosynthetic gene clusters

NPOmix: a machine learning classifier to connect mass spectrometry fragmentation data to biosynthetic gene clusters

Native metabolomics identifies the rivulariapeptolide family of protease inhibitors ⬇️

Non-target tandem mass spectrometry enables the prioritization of anthropogenic pollutants in seawater along the northern San Diego coast

Non-targeted tandem mass spectrometry enables the visualization of organic matter chemotype shifts in coastal seawater

Omics Discovery Index - Discovering and Linking Public Omics Datasets

Propagating annotations of molecular networks using in silico fragmentation

Protocol for community-created public MS/MS reference spectra within the Global Natural Products Social Molecular Networking infrastructure

QIIME 2: Reproducible, interactive, scalable, and extensible microbiome data science

QIIME 2: Reproducible, interactive, scalable, and extensible microbiome data science

Qiita: rapid, web-enabled microbiome meta-analysis

Quick-start infrastructure for untargeted metabolomics analysis in GNPS

ReDU: a framework to find and reanalyze public mass spectrometry data

Reproducible Molecular Networking Of Untargeted Mass Spectrometry Data Using GNPS

Reproducible molecular networking of untargeted mass spectrometry data using GNPS

Reproducible, interactive, scalable and extensible microbiome data science using QIIME 2

Reverse metabolomics for the discovery of chemical structures from humans

SIMILE enables alignment of tandem mass spectra with statistical significance

SPLASH, a hashed identifier for mass spectra ⬇️

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

Significance estimation for large scale metabolomics annotations by spectral matching

Spectral library generating function for assessing spectrum-spectrum match significance

SweetNET: A Bioinformatics Workflow for Glycopeptide MS/MS Spectral Analysis

TIMSCONVERT: a workflow to convert trapped ion mobility data to open data formats

Tandem Mass Spectrometry Molecular Networking as a Powerful and Efficient Tool for Drug Metabolism Studies

The Natural Products Atlas: An Open Access Knowledge Base for Microbial Natural Products Discovery

The ProteomeXchange consortium in 2017: supporting the cultural change in proteomics public data deposition

Three Dimensional Cartography of Microbiome and Metabolome Data onto Radiological Images of the Human Lung

Three-Dimensional Microbiome and Metabolome Cartography of a Diseased Human Lung

Unified and Standardized Mass Spectrometry Data Processing in Python Using spectrum_utils

Whole Cell MALDI Fingerprinting Is a Robust Tool for Differential Profiling of Two-Component Mammalian Cell Mixtures

foodMASST a mass spectrometry search tool for foods and beverages

microbeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data ⬇️