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Optimizing colormaps with consideration for color vision deficiency to enable accurate interpretation of scientific data

PloS one, 2018-08, Vol.13 (7), p.e0199239-e0199239

2018

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ISiCLE: A Quantum Chemistry Pipeline for Establishing in Silico Collision Cross Section Libraries

Analytical chemistry (Washington), 2019-04, Vol.91 (7), p.4346-4356

2019

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Correction to “Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets”

Journal of chemical information and modeling, 2021-05, Vol.61 (5), p.2509-2510

2021

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An Introduction to the Benchmarking and Publications for Non-Targeted Analysis Working Group

Analytical chemistry (Washington), 2021-12, Vol.93 (49), p.16289-16296

2021

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On the importance of color in mass spectrometry imaging

Journal of mass spectrometry., 2022-12, Vol.57 (12), p.e4898-n/a

2022

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Deep Learning to Generate in Silico Chemical Property Libraries and Candidate Molecules for Small Molecule Identification in Complex Samples

Analytical chemistry (Washington), 2020-01, Vol.92 (2), p.1720-1729

2020

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An automated framework for NMR chemical shift calculations of small organic molecules

Journal of cheminformatics, 2018-10, Vol.10 (1), p.52-16, Article 52

2018

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Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.6251-6257

2020

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Evaluation of In Silico Multifeature Libraries for Providing Evidence for the Presence of Small Molecules in Synthetic Blinded Samples

Journal of chemical information and modeling, 2019-09, Vol.59 (9), p.4052-4060

2019

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Application and assessment of deep learning for the generation of potential NMDA receptor antagonists

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (2), p.1197-1214

2021

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High-resolution elemental mapping of the root-rhizosphere-soil continuum using laser-induced breakdown spectroscopy (LIBS)

Soil biology & biochemistry, 2019-04, Vol.131, p.119-132

2019

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Modeling Substrate Utilization, Metabolite Production, and Uranium Immobilization in Shewanella oneidensis Biofilms

Frontiers in environmental science, 2017-06, Vol.5

2017

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NanoSIMS for biological applications: Current practices and analyses

Biointerphases, 2017-09, Vol.13 (3), p.03B301-03B301

2017

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Enzymatically hydrolyzed fluorescence-based chemical probe enables in situ mapping of chitinase activity in the rhizosphere

Soil biology & biochemistry, 2023-09, Vol.184, p.109122, Article 109122

2023

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Exploring chemical space in non-targeted analysis: a proposed ChemSpace tool

Analytical and bioanalytical chemistry, 2023-01, Vol.415 (1), p.35-44

2023

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Non-destructive spatial analysis of phosphatase activity and total protein distribution in the rhizosphere using a root blotting method

Soil biology & biochemistry, 2020-07, Vol.146 (C), p.107820, Article 107820

2020

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Quantum Chemistry Calculations for Metabolomics

Chemical reviews, 2021-05, Vol.121 (10), p.5633

2021

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Mass Spectrometry Adduct Calculator

Journal of chemical information and modeling, 2021-12, Vol.61 (12), p.5721-5725

2021

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DEIMoS: An Open-Source Tool for Processing High-Dimensional Mass Spectrometry Data

Analytical chemistry (Washington), 2022-04, Vol.94 (16), p.6130-6138

2022

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Quantum Chemistry Calculations for Metabolomics: Focus Review

Chemical reviews, 2021-05, Vol.121 (10), p.5633-5670

2021

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High-resolution elemental mapping of the root-rhizosphere-soil continuum using laser-induced breakdown spectroscopy (LIBS)

Soil biology & biochemistry, 2019-04, Vol.131 (C)

2019

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Nitrogen Source Governs Community Carbon Metabolism in a Model Hypersaline Benthic Phototrophic Biofilm

mSystems, 2020-06, Vol.5 (3)

2020

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Metabolic effects of vitamin B12 on physiology, stress resistance, growth rate and biomass productivity of Cyanobacterium stanieri planktonic and biofilm cultures

Algal research (Amsterdam), 2019-09, Vol.42 (C), p.101580, Article 101580

2019

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Gender-Discriminatory Laws and Women’s Economic Agency

Social politics, 2019-06, Vol.26 (2), p.193-222

2019

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Application and assessment of deep learning for the generation of potential NMDA receptor antagonists

Physical chemistry chemical physics : PCCP, 2020-12, Vol.23 (2)

2020

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Optimizing colormaps with consideration for color vision deficiency to enable accurate interpretation of scientific data

ISiCLE: A Quantum Chemistry Pipeline for Establishing in Silico Collision Cross Section Libraries

Correction to “Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets”

An Introduction to the Benchmarking and Publications for Non-Targeted Analysis Working Group

On the importance of color in mass spectrometry imaging

Deep Learning to Generate in Silico Chemical Property Libraries and Candidate Molecules for Small Molecule Identification in Complex Samples

An automated framework for NMR chemical shift calculations of small organic molecules

Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets

Evaluation of In Silico Multifeature Libraries for Providing Evidence for the Presence of Small Molecules in Synthetic Blinded Samples

Application and assessment of deep learning for the generation of potential NMDA receptor antagonists

High-resolution elemental mapping of the root-rhizosphere-soil continuum using laser-induced breakdown spectroscopy (LIBS)

Modeling Substrate Utilization, Metabolite Production, and Uranium Immobilization in Shewanella oneidensis Biofilms

NanoSIMS for biological applications: Current practices and analyses

Enzymatically hydrolyzed fluorescence-based chemical probe enables in situ mapping of chitinase activity in the rhizosphere

Exploring chemical space in non-targeted analysis: a proposed ChemSpace tool

Non-destructive spatial analysis of phosphatase activity and total protein distribution in the rhizosphere using a root blotting method

Quantum Chemistry Calculations for Metabolomics

Mass Spectrometry Adduct Calculator

DEIMoS: An Open-Source Tool for Processing High-Dimensional Mass Spectrometry Data

Quantum Chemistry Calculations for Metabolomics: Focus Review

High-resolution elemental mapping of the root-rhizosphere-soil continuum using laser-induced breakdown spectroscopy (LIBS)

Nitrogen Source Governs Community Carbon Metabolism in a Model Hypersaline Benthic Phototrophic Biofilm

Metabolic effects of vitamin B12 on physiology, stress resistance, growth rate and biomass productivity of Cyanobacterium stanieri planktonic and biofilm cultures

Gender-Discriminatory Laws and Women’s Economic Agency

Application and assessment of deep learning for the generation of potential NMDA receptor antagonists

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