Toxic compounds

ACToRJudson 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-TargetHuang 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 pesticidesProvided by Alan Wood
ATSDRHayes 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 databaseProvider: Government of Canada
CCRISProvider: US National Library of Medicine
ChemDISTung C.-W., ChemDIS: a chemical–disease inference system based on chemical–protein interactions. Journal of Cheminformatics, 2015, 7, Article No 25. Abstract
CompToxLowe 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
ContaminantDBProvider: University of Alberta
CPDBFitzpatrick R. B., CPDB: Carcinogenic potency database. Medical Reference Services Quarterly, 2008, 27, 303-311. Abstract
CRESTProvider: Brunel University London
CTD ChemicalsDavis 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
DARTJi 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
diXaHendrickx 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 transProvider: Instytut Żywności i Żywienia
ECHAProvider: European Chemicals Agency
eChemPortalProvider: OECD
ECOTOXProvider: US Environmental Protection Agency
EDCs DataBankMontes-Grajales D., Olivero-Verbel J., 2015, EDCs DataBank: 3D-Structure database of endocrine disrupting chemicals. Toxicology, 2015, 327, 87–94. Abstract
EKDBDing 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 LibraryCases 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-ExplorerNeveu 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
EXTOXNETProviders: University of California-Davis, Oregon State University, Michigan State University, Cornell University, University of Idaho
FAERSProvider: Food and Drug Administration
GENETOXProvider: US National Library of Medicine
hERGdbOgura 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
IRISProvider: US Environmental Protection Agency
ITERTomasulo P., ITER-International Toxicity Estimates for Risk, new TOXNET® database. Medical Reference Services Quarterly, 2005, 24, 55-66. Abstract
IUPAC Agrochemicals 
KEGG BRITEKanehisa 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-classProviders: Nordic Council of Ministers; European Chemicals Bureau
KemI RisklineProvider: Swedish Chemicals Agency
LiverToxProvider: National Institutes of Health
LTKBChen 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
MetaADEDBYu 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
NTP databases 
OpenFoodToxDorne 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-GatesIgarashi 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 PesticideProvider: Pesticide Action Network
Pesticide Properties DatabaseHeller 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 chemiczneProvider: Polska Federacja Producentów Żywności
SkinSensDBWang 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
SuperToxicSchmidt 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
T3DBWishart 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-ARDISGalletti 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
Tox21BodyMapBorrel 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
ToxBankAuthors: Barry Hardy, David Bower, Egon Willighagen, Glenn Myatt, Matthew Clark, Micha Rautenberg
ToxDBHardt 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
ToxicoDBNair 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
TOXNETFowler S., Schnall J. G., TOXNET: Information on toxicology and environmental health. American Journal of Nursing, 2014, 114, 61-63. Abstract
ToxRefDBMartin 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
TOXRICWu 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
ToxygatesNyström-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
Well ExplorerWetherbee 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 SafetyProvider: World Health Organization
WITHDRAWNSiramshetty V. B., Nickel J., Omieczynski C., Gohlke B.-O., Drwal M. N., Preissner R., WITHDRAWN-a resource for withdrawn and discontinued drugs. Nucleic Acids Research, 2016, 44, D1080–D1086. Abstract

Last Updated on 20-03-2023 by Piotr Minkiewicz