ClassyFire: automated chemical classification with a comprehensive, computable taxonomy

• Multilaboratory Untargeted Mass Spectrometry Metabolomics Collaboration to Identify Bottlenecks and Comprehensively Annotate A Single Dataset

  2025 Analytical Chemistry article Biochemistry, Genetics and Molecular Biology Metabolomics and Mass Spectrometry Studies Open access

  15

  citations
• Machine learning inference of natural product chemistry across biosynthetic gene cluster types

  2025 bioRxiv (Cold Spring Harbor Laboratory) preprint Medicine Microbial Natural Products and Biosynthesis Open access

  4

  citations
• Conceptual design of furfural extraction, oxidative upgrading and product recovery: COSMO-RS-based process-level solvent screening

  2024 Computers & Chemical Engineering article Engineering Process Optimization and Integration Open access

  9

  citations
• Identification of metabolites reproducibly associated with Parkinson’s Disease via meta-analysis and computational modelling

  2024 npj Parkinson s Disease review Medicine Parkinson's Disease Mechanisms and Treatments Open access

  34

  citations
• nanoRAPIDS as an analytical pipeline for the discovery of novel bioactive metabolites in complex culture extracts at the nanoscale

  2024 Communications Chemistry article Medicine Microbial Natural Products and Biosynthesis Open access

  5

  citations
• Spatially and temporally resolved metabolome of the human oral cavity

  2024 iScience article Biochemistry, Genetics and Molecular Biology Metabolomics and Mass Spectrometry Studies Open access

  19

  citations
• Análise de Dados de Metabolômica em Produtos Naturais: uma Revisão-Tutorial

  2023 Revista Virtual de Química article Biochemistry, Genetics and Molecular Biology Metabolomics and Mass Spectrometry Studies Open access

  1

  citations
• Artificial intelligence for natural product drug discovery

  2023 Nature Reviews Drug Discovery review Computer Science Computational Drug Discovery Methods Open access

  454

  citations
• Identification of metabolites reproducibly associated with Parkinson’s Disease via meta-analysis and computational modelling

  2023 Research Square preprint Medicine Parkinson's Disease Mechanisms and Treatments Open access

  2

  citations
• ChemFOnt: the chemical functional ontology resource

  2022 Nucleic Acids Research article Biochemistry, Genetics and Molecular Biology Biomedical Text Mining and Ontologies Open access

  21

  citations
• MiMeDB: the Human Microbial Metabolome Database

  2022 Nucleic Acids Research article Biochemistry, Genetics and Molecular Biology Gut microbiota and health Open access

  117

  citations
• Bacillus subtilis biofilm matrix components target seed oil bodies to promote growth and anti-fungal resistance in melon

  2022 Nature Microbiology article Agricultural and Biological Sciences Plant-Microbe Interactions and Immunity Open access

  104

  citations
• Neutral Loss Mass Spectral Data Enhances Molecular Similarity Analysis in METLIN

  2022 Journal of the American Society for Mass Spectrometry article Chemistry Mass Spectrometry Techniques and Applications Open access cited by 1 patent

  52

  citations
• Interpretation of the DOME Recommendations for Machine Learning in Proteomics and Metabolomics

  2022 Journal of Proteome Research article Chemistry Advanced Proteomics Techniques and Applications Open access

  16

  citations
• HMDB 5.0: the Human Metabolome Database for 2022

  2021 Nucleic Acids Research article Biochemistry, Genetics and Molecular Biology Metabolomics and Mass Spectrometry Studies Open access cited by 4 patents

  2,693

  citations
• Metabolic variation in Caribbean giant barrel sponges: Influence of age and sea-depth

  2021 Marine Environmental Research article Biochemistry, Genetics and Molecular Biology Marine Sponges and Natural Products Open access

  6

  citations
• METLIN Neutral Loss Database Enhances Similarity Analysis

  2021 bioRxiv (Cold Spring Harbor Laboratory) preprint Chemistry Mass Spectrometry Techniques and Applications Open access

  2

  citations

17 results