Anastasia Y. Sholokhova

Moscow, MOW, Russian Federation

Last Updated: 09/26/2026

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Found 16 publications

Enabling direct access to proprietary GC-MS data through black-box reconstruction of the Chromatec binary format.

Enabling direct access to proprietary GC-MS data through black-box reconstruction of the Chromatec binary format.

Journal: Journal of chromatography. A

Published: May 04, 2026

HREI-MSDB: Data Science-Ready Database of High-Resolution Electron Ionization Mass Spectra.

HREI-MSDB: Data Science-Ready Database of High-Resolution Electron Ionization Mass Spectra.

Journal: Journal of the American Society for Mass Spectrometry

Published: April 10, 2026

Interactive Software for Interpreting and Curating High-Resolution Electron Ionization Mass Spectra.

Interactive Software for Interpreting and Curating High-Resolution Electron Ionization Mass Spectra.

Journal: Journal of mass spectrometry : JMS

Published: March 19, 2026

A GC-MS Database of Nitrogen-Rich Volatile Compounds.

A GC-MS Database of Nitrogen-Rich Volatile Compounds.

Journal: Toxics

Published: October 18, 2025

Uncertainty Quantification and Flagging of Unreliable Predictions in Predicting Mass Spectrometry-Related Properties of Small Molecules Using Machine Learning.

Uncertainty Quantification and Flagging of Unreliable Predictions in Predicting Mass Spectrometry-Related Properties of Small Molecules Using Machine Learning.

Journal: International journal of molecular sciences

Published: November 08, 2024

Ready-to-use Models Built Using a Diverse Set of 266 Aroma Compounds for the Estimation of Gas Chromatographic Retention Indices for the 50%-Cyanopropylphenyl-50%-Dimethylpolysiloxane Stationary Phase.

Ready-to-use Models Built Using a Diverse Set of 266 Aroma Compounds for the Estimation of Gas Chromatographic Retention Indices for the 50%-Cyanopropylphenyl-50%-Dimethylpolysiloxane Stationary Phase.

Journal: Journal of separation science

Published: August 21, 2024

Critical evaluation of the NIST retention index database reliability with specific examples.

Critical evaluation of the NIST retention index database reliability with specific examples.

Journal: Analytical and bioanalytical chemistry

Published: July 31, 2024

Large-scale statistical study of the dependence of retention index on heating rate in temperature-programmed gas chromatography.

Large-scale statistical study of the dependence of retention index on heating rate in temperature-programmed gas chromatography.

Journal: Journal of chromatography. A

Published: July 10, 2024

In-Column Dehydration Benzyl Alcohols and Their Chromatographic Behavior on Pyridinium-Based Ionic Liquids as Gas Stationary Phases.

In-Column Dehydration Benzyl Alcohols and Their Chromatographic Behavior on Pyridinium-Based Ionic Liquids as Gas Stationary Phases.

Journal: Molecules (Basel, Switzerland)

Published: June 24, 2024

Validation of the identification reliability of known and assumed UDMH transformation products using gas chromatographic retention indices and machine learning.

Validation of the identification reliability of known and assumed UDMH transformation products using gas chromatographic retention indices and machine learning.

Journal: Chemosphere

Published: May 13, 2024

Quantitative structure-retention relationships for pyridinium-based ionic liquids used as gas chromatographic stationary phases: convenient software and assessment of reliability of the results.

Quantitative structure-retention relationships for pyridinium-based ionic liquids used as gas chromatographic stationary phases: convenient software and assessment of reliability of the results.

Journal: Journal of chromatography. A

Published: April 07, 2024

Intelligent Workflow and Software for Non-Target Analysis of Complex Samples Using a Mixture of Toxic Transformation Products of Unsymmetrical Dimethylhydrazine as an Example.

Intelligent Workflow and Software for Non-Target Analysis of Complex Samples Using a Mixture of Toxic Transformation Products of Unsymmetrical Dimethylhydrazine as an Example.

Journal: Molecules (Basel, Switzerland)

Published: March 20, 2023

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Last Updated: 09/26/2026