Toxic compounds
| ACToR | Judson R. S., Martin M. T., Egeghy P., Gangwal S., Reif D. M., Kothiya P., Wolf M., Cathey T., Transue T., Smith D., Vail J., Frame A., Mosher S., Cohen Hubal E. A., Richard A. M., Aggregating data for computational toxicology applications: The U.S. Environmental Protection Agency (EPA) Aggregated Computational Toxicology Resource (ACToR) system. International Journal of Molecular Sciences, 2012, 13, 1805-1831. Abstract |
| ADReCS-Target | Huang L.-H., He Q.-S., Liu K., Cheng J., Zhong M.-D., Chen L.-S., Yao L.-X., Ji Z.-L., ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Research, 2018, 46, D911–D917. Abstract |
| Alanwood.net pesticides | Provided by Alan Wood |
| APDB | Viesi E., Sardina D. S., Perricone U., Giugno R., APDB: a database on air pollutant characterization and similarity prediction. Database, 2023, Article No baad046. Abstract |
| ATSDR | Hayes A., Chemical compendia. in: Wexler P. (Editor) „Information resources in toxicology (Fourth edition)”. Elsevier Inc., 2009, pp. 123-128. Abstract |
| Canada Vigilance adverse reaction online database | Provider: Government of Canada |
| CCRIS | Provider: US National Library of Medicine |
| ChemDIS | Tung C.-W., ChemDIS: a chemical–disease inference system based on chemical–protein interactions. Journal of Cheminformatics, 2015, 7, Article No 25. Abstract |
| CompTox | Lowe C. N., Williams A. J., Enabling high-throughput searches for multiple chemical data using the U.S.-EPA CompTox chemicals dashboard. Journal of Chemical Information and Modeling, 2021, 61, 565–570. Abstract |
| ContaminantDB | Provider: University of Alberta |
| CPDB | Fitzpatrick R. B., CPDB: Carcinogenic potency database. Medical Reference Services Quarterly, 2008, 27, 303-311. Abstract |
| CREST | Provider: Brunel University London |
| CTD Chemicals | Davis A. P., Wiegers T. C., Johnson R. J., Sciaky D., Wiegers J., Mattingly C. J., Comparative Toxicogenomics Database (CTD): update 2023. Nucleic Acids Research, 2023, 51, D1257–D1262. Abstract |
| Danish QSAR Database | Provider: DTU National Food Institute |
| DART | Ji Z. L., Han L. Y., Yap C. W., Sun L. Z., Chen X., Chen Y. Z., DART: Drug Adverse Reaction Target Database. Drug Safety, 2003, 26, 685-690. Abstract |
| diXa | Hendrickx D M., Aerts H. J. W. L., Caiment F., Clark D., Ebbels T. M. D., Evelo C. T., Gmuender H., Dennie G.A.J. Hebels D. G. A. J., Herwig R., Hescheler J., Jennen D. G. J., Jetten M. J. A., Kanterakis S., Keun H. C., Matser V., Overington J. P., Pilicheva E., Sarkans U., Segura-Lepe M. P., Sotiriadou I., Wittenberger T., Wittwehr C., Zanzi A., Kleinjans J. C. S., diXa: a data infrastructure for chemical safety assessment. Bioinformatics, 2015, 31, 1505–1507. Abstract |
| e-Baza izomerów trans | Provider: Instytut Żywności i Żywienia |
| ECHA | Provider: European Chemicals Agency |
| eChemPortal | Provider: OECD |
| ECOTOX | Provider: US Environmental Protection Agency |
| EDCs DataBank | Montes-Grajales D., Olivero-Verbel J., 2015, EDCs DataBank: 3D-Structure database of endocrine disrupting chemicals. Toxicology, 2015, 327, 87–94. Abstract |
| EKDB | Ding D., Xu L., Fang H., Hong H., Perkins R., Harris S., Bearden E. D., Shi L., Tong W., The EDKB: An established knowledge base for endocrine disrupting chemicals. BMC Bioinformatics, 2010, 11 (Suppl. 6), Article No S5. Abstract |
| eTOX Library | Cases M., Pastor M., Sanz F., 2013, The eTOX Library of public resources for in silico toxicity prediction. Molecular Informatics, 2013, 32, 24–35. Abstract |
| Exposome-Explorer | Neveu V., Nicolas G., Salek R. M., Wishart D. S., Scalbert A., Exposome-Explorer 2.0: an update incorporating candidate dietary biomarkers and dietary associations with cancer risk. Nucleic Acids Research, 2020, 48, D908–D912. Abstract |
| EXTOXNET | Providers: University of California-Davis, Oregon State University, Michigan State University, Cornell University, University of Idaho |
| FAERS | Provider: Food and Drug Administration |
| GENETOX | Provider: US National Library of Medicine |
| HERA | |
| hERGdb | Ogura K., Sato T., Yuki H., Honma T., 2019, Support Vector Machine model for hERG inhibitory activities based on the integrated hERG database using descriptor selection by NSGA-II. Scientific Reports, 9, Article No 12220. Abstract |
| IRIS | Provider: US Environmental Protection Agency |
| ITER | Tomasulo P., ITER-International Toxicity Estimates for Risk, new TOXNET® database. Medical Reference Services Quarterly, 2005, 24, 55-66. Abstract |
| IUPAC Agrochemicals | |
| KEGG BRITE | Kanehisa M., Furumichi M., Sato Y., Kawashima M., Ishiguro-Watanabe M., KEGG for taxonomy-based analysis of pathways and genomes. Nucleic Acids Research, 2023, 51, D587–D592. Abstract |
| KemI N-class | Providers: Nordic Council of Ministers; European Chemicals Bureau |
| KemI Riskline | Provider: Swedish Chemicals Agency |
| LiverTox | Provider: National Institutes of Health |
| LTKB | Chen M. J., Vijay V., Shi Q., Liu Z. C., Fang H., Tong W. D., FDA-approved drug labeling for the study of drug-induced liver injury. Drug Discovery Today, 2011, 16, 697-703. Abstract |
| MetaADEDB | Yu Z., Wu Z, Li W., Liu G., Tang Y., MetaADEDB 2.0: a comprehensive database on adverse drug events. Bioinformatics, 2021, 37, 2221–2222. Abstract |
| NPIC | |
| NTP databases | |
| OpenFoodTox | Dorne J. L., Richardson J., Kass G., Georgiadis N., Monguidi M., Pasinato L., Cappe S., Verhagen H., Robinson T., Editorial: OpenFoodTox: EFSA’s open source toxicological database on chemical hazards in food and feed. EFSA Journal, 2017, 15, Article No e15011. Abstract |
| Open TG-Gates | Igarashi Y., Nakatsu N., Yamashita T., Ono A., Ohno Y., Urushidani T. Yamada H., Open TG-GATEs: a large-scale toxicogenomics database. Nucleic Acids Research, 2015, 43, D921–D927. Abstract |
| PAN Pesticide | Provider: Pesticide Action Network |
| Pesticide Properties Database | Heller S. R., Scott K., Bigwood D. W., Need for data evaluation of physical and chemical properties of pesticides: The ARS pesticide properties database. Journal of Chemical Information and Computer Sciences, 1989, 29, 159-162. Abstract |
| PFPŻ zanieczyszczenia chemiczne | Provider: Polska Federacja Producentów Żywności |
| SkinSensDB | Wang C.-C., Lin Y.-C., Wang S.-S., Shih C., Lin Y.-H., Tung C.-W., SkinSensDB: a curated database for skin sensitization assays. Journal of Cheminformatics, 2017, 9, Article No 5. Abstract |
| SuperToxic | Schmidt U., Struci S., Gruening B., Hossach J., Jaeger I.S., Parol R., Lindequist U., Teuscher E., Preissner R., SuperToxic: comprehensive database of toxic compounds. Nucleic Acids Research, 2009, 37, D295-D299. Abstract |
| T3DB | Wishart D., Arndt D., Pon A., Sajed T., Guo A. C., Djoumbou Y., Knox C., Wilson M., Liang Y., Grant J., Liu Y., Goldansaz S. A., Rappaport S. M., T3DB: the toxic exposome database. Nucleic Acids Research, 2015, 43, D928–D934. Abstract |
| T-ARDIS | Galletti C., Bota P. M., Oliva B., Fernandez-Fuentes N., Mining drug–target and drug–adverse drug reaction databases to identify target–adverse drug reaction relationships. Database, 2021, Article No baab068. Abstract |
| Tox21BodyMap | Borrel A., Auerbach S. S., Houck K. A., Kleinstreuer N. C., Tox21BodyMap: a webtool to map chemical effects on the human body. Nucleic Acids Research, 2020, 48, W472–W476. Abstract |
| ToxBank | Authors: Barry Hardy, David Bower, Egon Willighagen, Glenn Myatt, Matthew Clark, Micha Rautenberg |
| ToxDB | Hardt C., Beber M. E., Rasche A., Kamburov A., Hebels D. G., Kleinjans J. C., Herwig R., ToxDB: pathway-level interpretation of drug-treatment data. Database, 2016, Article No baw052. Abstract |
| ToxicoDB | Nair S. K., Eeles C., Ho C., Beri G., Yoo E., Tkachuk D., Tang A., Nijrabi P., Smirnov P., Seo H., Jennen D., Haibe-Kains B., ToxicoDB: an integrated database to mine and visualize large-scale toxicogenomic datasets. Nucleic Acids Research, 2020, 48, W455–W462. Abstract |
| TOXNET | Fowler S., Schnall J. G., TOXNET: Information on toxicology and environmental health. American Journal of Nursing, 2014, 114, 61-63. Abstract |
| ToxRefDB | Martin M. T., Mendez E., Corum D. G., Judson R. S., Kavlock R. J., Rotroff D. M., Dix D. J., Profiling the reproductive toxicity of chemicals from multigeneration studies in the toxicity reference database. Toxicological Sciences, 2009, 110, 181-190. Abstract |
| TOXRIC | Wu L., Yan B., Han J., Li R., Xiao J., He S., Bo X., TOXRIC: a comprehensive database of toxicological data and benchmarks. Nucleic Acids Research, 2023, 51, D1432–D1445. Abstract |
| Toxygates | Nyström-Persson J., Igarashi Y., Ito M., Morita M., Nakatsu N., Yamada H., Mizuguchi K., 2013, Toxygates: interactive toxicity analysis on a hybrid microarray and linked data platform. Bioinformatics, 2013, 29, 3080-3086. Abstract |
| TRSRD | Wang Y., Wang P., Zhang Y., Yao S., Xu Z., Zhang Y., TRSRD: a database for research on risky substances in tea using natural language processing and knowledge graph-based techniques. Database, 2023, Article No baad031. Abstract |
| Well Explorer | Wetherbee O., Meeker J. R., DeVoto C., Penning T. M., Moore J. H., Boland M. R., WellExplorer: an integrative resource linking hydraulic fracturing chemicals with hormonal pathways and geographic location. Database, 2020, Article No baaa053. Abstract |
| WHO Food Safety | Provider: World Health Organization |
| Withdrawn | Gallo K., Goede A., Eckert O.-A., Gohlke B.-O., Preissner R., Withdrawn 2.0—update on withdrawn drugs with pharmacovigilance data. Nucleic Acids Research, 2024, 52, D1503–D1507. Abstract |
Last Updated on 26-06-2024 by Piotr Minkiewicz