PubChem in 2021: new data content and improved web interfaces

• Determinants of the plasma metabolome: cross-sectional and longitudinal associations over six years in the NESDA cohort

  2026 EBioMedicine article Biochemistry, Genetics and Molecular Biology Metabolomics and Mass Spectrometry Studies Open access

  0

  citations
• Determinants of the plasma metabolome: cross-sectional and longitudinal associations over 6 years in the NESDA cohort

  2026 medRxiv preprint Biochemistry, Genetics and Molecular Biology Metabolomics and Mass Spectrometry Studies Open access

  0

  citations
• Long-Term Trends and Patterns of Legacy and Emerging Cosmetic UV Filters in German Waters: What Do Target Analysis and Non-Target Screening Data Tell Us?

  2026 SSRN Electronic Journal preprint Environmental Science Pharmaceutical and Antibiotic Environmental Impacts Open access

  1

  citations
• Structural Systems Biology Toolkit (SSBtoolkit): From Molecular Structure to Subcellular Signaling Pathways

  2025 Journal of Chemical Information and Modeling article Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling Open access

  0

  citations
• Yeast9: a consensus genome-scale metabolic model for S. cerevisiae curated by the community

  2024 Molecular Systems Biology article Biochemistry, Genetics and Molecular Biology Microbial Metabolic Engineering and Bioproduction Open access cited by 1 patent

  62

  citations
• ML-SAFT: A machine learning framework for PCP-SAFT parameter prediction

  2024 Chemical Engineering Journal article Engineering Phase Equilibria and Thermodynamics Open access

  33

  citations
• Curated mode-of-action data and effect concentrations for chemicals relevant for the aquatic environment

  2024 Scientific Data data-paper Environmental Science Environmental Toxicology and Ecotoxicology Open access

  33

  citations
• Yeast9: A Consensus Yeast Metabolic Model Enables Quantitative Analysis of Cellular Metabolism By Incorporating Big Data

  2023 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Microbial Metabolic Engineering and Bioproduction Open access

  8

  citations
• ML-SAFT: A machine learning framework for PCP-SAFT parameter prediction

  2023 ChemRxiv preprint Engineering Phase Equilibria and Thermodynamics Open access

  6

  citations
• Effect of the transjugular intrahepatic portosystemic shunt on peptidomics composition of peripheral plasma

  2023 Research Square preprint Medicine Liver Disease and Transplantation Open access

  0

  citations
• Flavor Profiling Using Comprehensive Mass Spectrometry Analysis of Metabolites in Tomato Soups

  2022 Metabolites article Agricultural and Biological Sciences Sensory Analysis and Statistical Methods Open access

  6

  citations
• SSB toolkit: from molecular structure to subcellular signaling pathways

  2022 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling Open access

  2

  citations
• MIBiG 3.0: a community-driven effort to annotate experimentally validated biosynthetic gene clusters

  2022 Nucleic Acids Research article Medicine Microbial Natural Products and Biosynthesis Open access cited by 1 patent

  447

  citations
• LIDA: The Leiden Ice Database for Astrochemistry

  2022 Astronomy and Astrophysics article Physics and Astronomy Astrophysics and Star Formation Studies Open access

  59

  citations
• Metabolic Footprinting of Microbial Systems Based on Comprehensive In Silico Predictions of MS/MS Relevant Data

  2022 Metabolites article Biochemistry, Genetics and Molecular Biology Metabolomics and Mass Spectrometry Studies Open access

  5

  citations
• One planet: one health. A call to support the initiative on a global science–policy body on chemicals and waste

  2022 Environmental Sciences Europe article Environmental Science Environmental Toxicology and Ecotoxicology Open access

  102

  citations
• Papyrus - A large scale curated dataset aimed at bioactivity predictions

  2021 preprint Computer Science Computational Drug Discovery Methods Open access

  4

  citations
• Papyrus - A large scale curated dataset aimed at bioactivity predictions

  2021 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

  8

  citations
• LIPAD (LRRK2/Luebeck International Parkinson's Disease) Study Protocol: Deep Phenotyping of an International Genetic Cohort

  2021 Frontiers in Neurology article Medicine Parkinson's Disease Mechanisms and Treatments Open access

  9

  citations

19 results