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Saer Samanipour

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Associate Professor

University of Amsterdam

Netherlands

Research Interests

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About

Saer Samanipour is an Assistant Professor at the University of Amsterdam, Netherlands. His research focuses on computational mass spectrometry, machine learning applications in analytical chemistry, and the characterization of complex biological substances. He has contributed to several recent articles addressing topics such as non-targeted mass spectrometry workflows, chemical space exploration, and techniques for analyzing snake venom variability.

Recent Grants

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AI4SPD

Open Date: 2023-01-01

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SCOPE

Open Date: 2021-01-01

Close Date: 2023-01-01

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EDIFIED

Open Date: 2021-01-01

Close Date: 2025-01-01

Grant: Close

Resolving the complex mixtures of produced water

Open Date: 2018-01-01

Close Date: 2019-01-01

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Collaborators (40)

Marianne Seijo

University of Amsterdam

NETHERLANDS

Saer Samanipour

Research Interests

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About

Recent Grants

Articles (37)

LC-HRMS Known- and Unknown-Feature Prioritization Based on Machine-Learning-Predicted Ready Biodegradability

PFAS Prophet: Prioritising Per- and Polyfluoroalkyl Substances Using Mass and MS/MS Spectra

Understanding and Reporting PFAS Exposure: Wide-Scope Retrospective Suspect Screening of High-Resolution Mass Spectrometry Data from Exposomics Studies

Measurable Feature Prediction for Estimating Chemical Space Coverage in LC–ESI–HRMS Nontargeted Analysis

Chemical space blind spots: how chromatographic selectivity dictates chemical measurability and coverage of LC-HRMS comprehensive analysis

Advancing the Discovery of Emerging Contaminants: A Leap in Technology and Data

From Spectra to Local Networks: Evaluating MS2 Similarity Metrics

Enhancing predictive modeling with molecular fingerprint fusion strategies

A Novel Chemical-Space-Dependent Strategy for Compound Selection in Non-target LC-HRMS Method Development Using Physicochemical and Structural Data

Rapid On-Site NIR Spectroscopic Characterization of CWA Liquids Using a Novel 3D-Printed Glass Cell

Machine Learning for Enhanced Identification Probability in RPLC/HRMS Nontargeted Workflows

Prioritization of Unknown LC-HRMS Features Based on Predicted Toxicity Categories

Computational mass spectrometry for exposomics in non‑target screening

Categorization and Characterization of Snake Venom Variability through Intact Toxin Analysis by Mass Spectrometry

Machine Learning for Predicting Environmental Mobility Based on Retention Behavior

Discovery of Previously Unreported Per- and Polyfluoroalkyl Substances (PFAS) in Pooled Australian Human Serum Using Nontarget Analysis

Ionization efficiency prediction of electrospray ionization mass spectrometry analytes based on molecular fingerprints and cumulative neutral losses

GcDUO: an open-source software for GC × GC–MS data analysis

Studying Venom Toxin Variation Using Accurate Masses from Liquid Chromatography–Mass Spectrometry Coupled with Bioinformatic Tools

Exploring the Chemical Space of the Exposome: How Far Have We Gone?

A stochastic approach for parameter optimization of feature detection algorithms for non-target screening in mass spectrometry

UV/Visible Diffusion-Ordered Spectroscopy: A Simultaneous Probe of Molecular Size and Electronic Absorption

Exploring the chemical subspace of RPLC: A data driven approach

Comprehensive Two-Dimensional Liquid Chromatography–High-Resolution Mass Spectrometry for Complex Protein Digest Analysis Using Parallel Gradients

Workflow to facilitate the detection of new psychoactive substances and drugs of abuse in influent urban wastewater

Novel Per- and Polyfluoroalkyl Substances Discovered in Cattle Exposed to AFFF-Impacted Groundwater

Metabolome-Based Classification of Snake Venoms by Bioinformatic Tools

Critical Assessment of the Chemical Space Covered by LC–HRMS Non-Targeted Analysis

Cumulative Neutral Loss Model for Fragment Deconvolution in Electrospray Ionization High-Resolution Mass Spectrometry Data

InSpectra – A platform for identifying emerging chemical threats

Instrument-independent chemometric models for rapid, calibration-free NPS isomer differentiation from mass spectral GC-MS data

Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data

National Wastewater Reconnaissance of Analgesic Consumption in Australia

Per- and polyfluoroalkyl substances (PFAS) in consumer products: Current knowledge and research gaps

Is Nontarget Analysis Ready for Regulatory Application? Influence of Peak-Picking Algorithms on Data Analysis

Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography

From Molecular Descriptors to Intrinsic Fish Toxicity of Chemicals: An Alternative Approach to Chemical Prioritization

Collaborators (40)

Marianne Seijo

Melissa Baerenfaenger

Johan A. Westerhuis

Antonia Praetorius

Christine Baduel

Jos Oomens

Massimo Del Bubba

Maria Jose Gomez Ramos

Jeroen Kool

Leon E. Niezen

Susan Richardson

Nicholas Casewell

Arndís Sue Ching Löve

Malcolm Reid

Jake William O'Brien

Andrea Gargano

Lapo Renai

Leisa-Maree Toms

Wenhui Qiu

Jonathan Martin

Marcin Sowa

Denice van Herwerden

Raquel Cumeras

Ian Wood

Gert Salentijn

Juliane Hollender

Dwight Stoll II

Cassandra Rauert

Mohammad Sadia

Sarit Kaserzon

Julien Slagboom

Tijmen Bos

Kevin V. Thomas

Dr. Cassandra Modahl

Torsten C. Schmidt

Stefano Papazian