| Publication | Date of Publication | Type |
|---|
| PFAS LC-IMS-MS Skyline Library 10/2024 | N/A | Dataset |
| Dataset for "Multidimensional library for the improved identification of per- and polyfluoroalkyl substances (PFAS)" | N/A | Dataset |
| S68 | HSDBTPS | Transformation Products Extracted from HSDB Content in PubChem | 2025-02-08 | Dataset |
| PubChemLite for Exposomics + predicted CCS from CCSbase - January 2025 | 2025-02-04 | Dataset |
| S74 | REFTPS | Transformation Products and Reactions from Literature | 2025-01-30 | Dataset |
| PubChem OECD PFAS Larger PFAS Parts file for MetFrag | 2025-01-25 | Dataset |
| Selected Download Files from the PFAS Tree | 2025-01-25 | Dataset |
| Zebrafish Pathway Metabolite MetFrag Local CSV | 2024-12-27 | Dataset |
| MassBank <=> PubChem Deposition/Annotation Repository | 2024-11-26 | Dataset |
| Experimental CCS Values in PubChem | 2024-11-05 | Dataset |
| [MetFrag] MoNA Export LC-MS-MS Spectra for MetFrag | 2024-10-18 | Dataset |
| S120 | DUSTCT2024 | Substances from Second NORMAN Collaborative Dust Trial | 2024-09-24 | Dataset |
| S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | 2024-08-06 | Dataset |
| Natural Products Atlas (NPAtlas) MetFrag Local CSV | 2024-08-01 | Dataset |
| S103 | NORMANUVCB | NORMAN Dataset of Curated UVCB Mappings | 2024-06-06 | Dataset |
| S98 | TIRECHEM | Tire-Related Chemicals in Environment from Literature | 2024-05-13 | Dataset |
| S116 | REFCCS | Collision Cross Section (CCS) Values from Literature | 2024-04-26 | Dataset |
| Predicted Transformation Products of 321 Pesticides | 2024-04-03 | Dataset |
| Transformations in PubChem - Full Dataset | 2024-04-02 | Dataset |
| S66 | EAWAGTPS | Parent-Transformation Product Pairs from Eawag | 2024-02-07 | Dataset |
| S0 | SUSDAT | Merged NORMAN Suspect List: SusDat | 2024-01-14 | Dataset |
| S111 | PMTPFAS | Fluorine-containing Compounds in PMT Suspect Lists | 2023-10-07 | Dataset |
| PubChem lists to Study the Exposome of Mild Cognitive Impairment and Alzheimer's Disease on Cerebrospinal Fluid | 2023-06-07 | Dataset |
| Supporting Information: High-throughput Saccharomyces cerevisiae cultivation method for credentialing-based untargeted metabolomics | 2023-03-08 | Dataset |
| S96 | ECIPFAS | Updatable List to add PFAS Structures to Public Resources from ECI (UniLu) | 2022-12-18 | Dataset |
| S100 | PFASREACH | List of PFAS identified in REACH 2019 | 2022-12-14 | Dataset |
| S77 | FCCDB | Food Contact Chemicals Database v5.0 | 2022-11-08 | Dataset |
| S71 | CECSCREEN | HBM4EU CECscreen: Screening List for Chemicals of Emerging Concern Plus Metadata and Predicted Phase 1 Metabolites | 2022-11-08 | Dataset |
| OntoChem PFAS CORE and Patent Files for MetFrag | 2022-04-20 | Dataset |
| Various PubChem lists for Parkinson's Disease and related disorders | 2022-03-24 | Dataset |
| Untitled PCL | 2022-02-07 | Dataset |
| S90 | ZEROPMBOX1 | ZeroPM Box 1 Substances | 2022-01-15 | Dataset |
| S86 | TATTOOINK | TATTOOINK as per EU regulation 2020/2081 | 2021-12-03 | Dataset |
| S83 | CCL5 | Contaminant Candidate List CCL 5 (Draft) | 2021-11-23 | Dataset |
| PubChemLite Uploads | 2021-01-11 | Dataset |
| WiP: "Keywords" on PubChem content | 2020-11-13 | Dataset |
| PubChemLite for Exposomics | 2020-10-31 | Dataset |
| PubChemLite Evaluation - Additional Files | 2020-10-28 | Dataset |
| HSDB Metabolism / Metabolites Annotation Content from PubChem | 2020-04-30 | Dataset |
| ECMDB2.0 MetFrag Local CSV | 2020-04-01 | Dataset |
| Data Practical for Master's in Integrated Systems Biology (ISB401) | 2020-02-13 | Dataset |
| S62 | NORMANEWS2 | NormaNEWS2: Retrospective Screening of New Emerging Contaminants | 2020-02-03 | Dataset |
| Blood Exposome Database: MetFrag Local CSV | 2019-12-05 | Dataset |
| MetFrag Local CSV: CompTox (7 March 2019 release) Wastewater MetaData File | 2019-10-04 | Dataset |
| YMDB2.0 MetFrag Local CSV | 2019-09-17 | Dataset |
| WormJam Metabolites Local CSV for MetFrag | 2019-09-09 | Dataset |
| HMDB4.0 MetFrag Local CSV | 2019-08-23 | Dataset |
| MetFrag Local CSV: CompTox (7 March 2019 release) Smoking MetaData File | 2019-08-09 | Dataset |
| Exposome Boot Camp Lab 4: MetFrag in Practice | 2019-07-26 | Dataset |
| S1 | MASSBANK | NORMAN Compounds in MassBank | 2019-06-17 | Dataset |
| S58 | PSYCHOCANNAB | NPS and Synthetic Cannabinoids from CompTox | 2019-06-17 | Dataset |
| Suspect Lists for Neurotoxicant Screening | 2019-06-11 | Dataset |
| S37 | LITMINEDNEURO | Neurotoxicants from literature mining PubMed | 2019-06-10 | Dataset |
| List of (tentatively) identified non-target structures | 2019-06-04 | Dataset |
| S52 | THSMOKE | Thirdhand Smoke (THS) Compounds | 2019-05-06 | Dataset |
| S46 | PFASNTREV19 | List of PFAS reported in Non-Target HRMS Studies (Liu et al 2019) | 2019-04-17 | Dataset |
| MetFrag Local CSV: CompTox (7 March 2019 release) MetaData File | 2019-03-07 | Dataset |
| S48 | CPPDBLISTA | Database of Chemicals likely (List A) associated with Plastic Packaging (CPPdb) | 2019-03-06 | Dataset |
| S49 | CPPDBLISTB | Database of Chemicals possibly (List B) associated with Plastic Packaging (CPPdb) | 2019-03-06 | Dataset |
| S42 | HDXNOEX | Hydrogen Deuterium Exchange (HDX) Standard Set | 2019-02-14 | Dataset |
| S43 | NEUROTOXINS | Neurotoxicants Collection from Public Resources | 2019-02-14 | Dataset |
| S44 | STATINS | Statins Collection from Public Resources | 2019-02-14 | Dataset |
| S41 | CCL4 | CCL 4 Chemical Candidate List | 2019-02-14 | Dataset |
| S34 | EXPOSOMEXPL | Biomarkers from Exposome Explorer | 2019-01-24 | Dataset |
| S24 | HUMANNEUROTOX | List of Human Neurotoxins | 2018-06-19 | Dataset |
| S3 | NORMANCT15 | NORMAN Collaborative Trial Targets and Suspects | 2016-10-31 | Dataset |
| S4 | UJIBADE | University of Jaume I Bade et al List | 2015-11-28 | Dataset |
| S7 | EAWAGSURF | Eawag Surfactants Suspect List | 2014-01-14 | Dataset |
| Mathematical chemistry and chemoinformatics. Structure generation, elucidation and quantitative structure. Property relationships | 2014-01-06 | Paper |
