Research Articles
Benchmarking Dereplication Algorithms on GNPS Datasets: A Comprehensive Guide for Metabolomics and Drug Discovery
This article provides a systematic evaluation of dereplication algorithms using the Global Natural Products Social (GNPS) mass spectrometry data ecosystem.
Open Access Natural Product Databases: A 2025 Guide for Researchers in Drug Discovery
Natural products are a cornerstone of drug discovery, with over 50% of new drugs developed from 1981-2014 originating from these compounds [citation:2].
LC-MS vs. GC-MS for Natural Product Metabolomics: A Strategic Guide for Method Selection and Integration
This article provides a comprehensive, comparative analysis of liquid chromatography-mass spectrometry (LC-MS) and gas chromatography-mass spectrometry (GC-MS) as core platforms for natural product metabolomics.
Validating Dereplication Outcomes: A Comprehensive Guide to NMR Spectroscopy Verification
This article provides a systematic guide for researchers, scientists, and drug development professionals on validating dereplication results using Nuclear Magnetic Resonance (NMR) spectroscopy.
DEREPLICATOR+ vs. Traditional Dereplication: A Comprehensive Performance Benchmark for Natural Product Discovery
This article provides a detailed comparative analysis of the next-generation DEREPLICATOR+ algorithm against traditional dereplication methods, targeting researchers and drug development professionals.
Accurate FDR Calculation for Dereplication Algorithms: A Practical Guide for Omics Researchers
This article provides a comprehensive guide to false discovery rate (FDR) calculation specifically for dereplication algorithms in proteomics and metabolomics.
Overcoming Ion Suppression in LC-MS Dereplication: Strategies for Accurate Compound Identification in Complex Mixtures
This article provides a comprehensive guide for researchers and drug development professionals on overcoming ion suppression, a major analytical challenge in LC-MS-based dereplication.
Beyond the Nodes: A Comprehensive Guide to Troubleshooting Molecular Networking for Novel Compound Discovery
This article provides a systematic guide for researchers and drug development professionals to troubleshoot and optimize molecular networking (MN) workflows for novel compound discovery.
Mastering Dereplication Strategies for Complex Plant Extracts: From Rapid Identification to Prioritizing Novel Drug Leads
This article provides a comprehensive guide to dereplication strategies essential for researchers, scientists, and drug development professionals working with complex plant extract matrices.
Clearing the Signal: A Guide to Removing Interfering Features for Cleaner Biological Insights in Mass Spectrometry Data
Mass spectrometry (MS) generates high-dimensional data crucial for biomedical discovery, but its utility is often obscured by interfering biological features, technical noise, and the 'curse of dimensionality.' This article provides...