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8 results for “Chemical hazard”
Predicted and experimental chemical and ecotoxicological properties for the toxic unit based hazard assessment
<p><strong>Description</strong></p> <p>This dataset contains ecotoxicity data of 1585 chemicals of environmental concern (CECs) and chemical identifiers. The ecotoxicity data was retrieved from <a href="https://cfpub.epa.gov/ecotox">US EPA ECOTOX Knowlegdebase</a> in ASCII file format and was aggregated for the ecotoxicity groups algae, crustaceans, and fish based on the ideas of <a href="https://dx.doi.org/10.1002/etc.3460">Busch et al. 2016</a>. The dataset includes the 5-percentile, the mean and the geomean of all retrieved ecotoxicity for each compound. Missing ecotoxicity data was estimated with ECOSAR 1.0 algorithms for green algae, daphnids, and fish using <a href="https://www.ufz.de/index.php?en=34593">ChemProp 6.8</a>. The main purpose of this dataset is the <a href="http://doi.org/10.1016/0043-1354(70)90018-7">toxic unit</a> (TU) based hazard assessment of environmental water samples. Chemical properties were estimated using <a href="https://github.com/kmansouri/OPERA">OPERA 2.7</a>, <a href="https://chemaxon.com/products/instant-jchem">Instant JChem</a>, and ACD Percepta 2015 based on QSAR-ready SMILES derived from OPERA 2.7. All data aggregated from EcoTox Knowledgebase (e.g., raw values, species, etc.) is available in the dataset in the detailed sheets. REcoTox, the processing script written in R is available on <a href="https://github.com/tsufz/REcoTox/releases/latest">GitHub</a>.</p> <p><strong>CAUTION</strong></p> <p>It needs to be emphasized that quantitative-structure activity relationship data is just an estimate, which does not necessarily reflect the real property and behaviour of a modelled compound. The calculated data needs to be reviewed in deep. Especially for non-polar or very polar compounds, the QSAR predictions might fail. If a compound ranks high in the TU ranking, it is required to search for literature or regulative data evidences to underpin the finding to avoid false positive prioritizations.</p> <p><strong>RELEASE NOTE</strong></p> <p>Version 210714_v1 was created with <a href="https://github.com/tsufz/REcoTox/releases/tag/v0.1.0">REcoTox version v0.1.0</a>.</p>
S108 | SINLIST | SIN (Substitute It Now) list of hazardous chemicals by ChemSec
<p>This is the collection associated with list S108 SINLIST SIN (Substitute It Now) list of hazardous chemicals by ChemSec on the NORMAN Suspect List Exchange.</p> <p><a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a></p> <p>SIN (Substitute It Now) list of hazardous chemicals used in a wide variety of articles, products and manufacturing processes around the globe.The SIN List consists of chemicals that have been identified by the non-profit <a href="https://sinlist.chemsec.org/">ChemSec</a> as being Substances of Very High Concern, based on the criteria defined within REACH, the EU chemicals legislation.The SIN abbreviation – Substitute It Now – implies that these chemicals should be removed as soon as possible as they pose a threat to human health and the environment.<br>The list was kindly provided by Anna Lennquist (ChemSec, Sweden) and Hans Peter Arp (NGI,NTNU, Norway).</p> <p>List updated with new substances on 08 May 2024</p>
OpenFoodTox: EFSA's chemical hazards database
<p><strong>Background: EFSA's remit and chemical risk assessment of regulated products and contaminants</strong></p> <p>The European Food Safety Authority (EFSA) has the remit to provide scientific advice to risk managers and decision makers through risk assessment and risk communication on issues related to “food and feed safety, animal health and welfare, plant health, nutrition, and environmental issues”. Risk assessment has been defined as "a scientifically based process consisting of four steps: hazard identification, hazard characterisation, exposure assessment and risk characterisation" (EC, 2002). </p> <p>In the food and feed safety area, hazard identification and hazard characterisation aim to determine safe levels of exposure for regulated products or contaminants as “reference values<sup>1</sup>” to protect human health, animal health, environmental-relevant species or the whole ecosystem. Such reference values for a given species are most often derived by using a “reference point<sup>2</sup>" determined from the critical toxicological study on which an uncertainty factor<sup>3</sup> is applied.</p> <p>Since its creation in 2002, the European Food safety Authority (EFSA) has produced risk assessments for <strong>more than 5,700 unique substances</strong> in <strong>over 2,400 Scientific Opinions</strong><strong>, Statements and Conclusions</strong> through the work of its <a href="http://www.efsa.europa.eu/en/science/scientific-committee-and-panels">scientific Panels</a>, Units and Scientific Committee. </p> <p> </p> <p><strong>EFSA's Chemical Hazards Database: OpenFoodTox</strong></p> <p>OpenFoodTox is a structured database summarising the outcomes of hazard identification and characterisation for the human health (all regulated products and contaminants), the animal health (feed additives, pesticides and contaminants) and the environment (feed additives and pesticides). It provides open-source data for the substance characterisation, the links to EFSA’s related outputs, background European legislation, and a summary of the critical toxicological endpoints and reference value.</p> <p>The data model of OpenFoodTox has been designed using <a href="https://www.oecd.org/ehs/templates/">OECD Harmonised Templates (OHTs)</a> as a basis to collect and structure the data in a harmonised manner. OpenFoodTox provides open source data for the substance characterisation, EFSA outputs, reference points, reference values and genotoxicity.</p> <p>OpenFoodTox contributes actively to EFSA’s 2020 Science Strategy (EFSA, 2016) and to the aim of widening EFSA’s evidence base and optimising access to its data as a valuable open source toxicological database that can be shared with all scientific advisory bodies and stakeholders with an interest in chemical risk assessment. In addition, OpenFoodTox 2.0 has been submitted to the OECD’s Global Portal to Information on Chemical Substances (<a href="https://www.echemportal.org/">eChemPortal</a>) so that individual substances can be searched as part of the national and international databases. Further description and associated references are described in the EFSA journal editorial (Dorne et al., 2017) and other publications (Dorne et al., 2020).</p> <p> </p> <p><strong>What's new? OpenFoodTox 2.0 </strong></p> <p>The 2023 upgrade to OpenFoodTox 2.0 now contains <strong>physico-chemical properties</strong> and <strong>pharmacokinetic/toxicokinetic</strong> data for more than 850 substances.</p> <p>In order to disseminate OpenFoodTox 2.0 to a wider community, two sets of data can be downloaded:</p> <p><strong>1. </strong>Six individual spreadsheets including a) substance characterisation , b) EFSA outputs, c) reference points, d) reference values, e) genotoxicity and f) phys-chem&toxicokinetics data*.</p> <p><strong>2. </strong>The full database*.</p> <p> </p> <p><strong>OpenFoodTox 2.0 and innovative <em>in silico</em> models</strong></p> <p><em>In silico</em> models using OpenFoodTox 2.0 data have been developed for ecological risk assessment (bees and rainbow trout) and human risk assessment using rat toxicological data (Carnesecchi et al., 2020a; Carnesecchi et al., 2020b; Como et al., 2017; Benefenati et al., 2017; Toporov et al., 2017, Toporov et al., 2018). These <em>in silico </em>models provide alternative means to animal experiments for the hazard identification and characterisation of chemicals, and are becoming of increasing interest in the risk assessment community to deliver the 3Rs (replacement, reduction, refinement) (Hartung, 2004; OECD, 2005), particularly since the banning of animal testing for the approval of cosmetics as consumer products (Regulation (EC) No. 1223/2009, Art.18(2)).</p> <p> </p> <p> </p> <p> </p> <p><strong>Definitions</strong></p> <p><sup>1 </sup>Reference Value: the estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018).</p> <p><sup>2 </sup>Reference Point: defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018).</p> <p><sup>3 </sup>Uncertainty factor: reductive factor by which an observed or estimated no observed adverse effect level or other reference point, such as the benchmark dose or benchmark dose lower confidence limit, is divided to arrive at a reference dose or standard that is considered safe or without appreciable risk (WHO, 2009).</p> <p>*Phys-chem and toxicokinetics data can be merged with the full database using SUB_COM_ID and OP_ID keys as available in "PhysChem_Toxicokinetics_KJ_2023" and "OpenFoodToxTX22809_2023".</p> <p> </p> <p><strong>This version replaces version 5 to include EFSA Opinions, Statements and Conclusions up to Sept 2022</strong></p>
Global trade data of highly hazardous chemicals after data treatment and Python codes used for error analysis and mirror analysis
<p>This database includes all global trade data of the three types of highly hazaroudous chemicals listed under the Rotterdam Convention after error analysis and mirror analysis. Python codes used for error analysis and mirror analysis are also available.</p> <p> </p> <p> Corresponding authors: <a href="mailto:hongyan.zou@tjnu.edu.cn">hongyan.zou@tjnu.edu.cn</a>; <a href="mailto:Zhanyun.wang@empa.ch">Zhanyun.wang@empa.ch</a></p>
An adaptive and interpretable modeling architecture assisted rapid and reliable consensus prediction for hazardous properties of chemicals
<p>*the computational results of interpretable cases are available in the supporting information for interpretable case.xlsx ;</p> <p>*the training dataset is utilized for model training while the validation dataset is utilized for evaluating. </p>
Assessment of Human Exposure to Chemical Hazards
ClinicalTrials.gov study NCT06526169. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Informing Hazard Identification and Risk Characterization of Environmental Chemicals by Combining Transcriptomic and Functional Data from Human Induced Pluripotent Stem Cell-Derived Cardiomyocytes
GEO Series GSE262419. Homo sapiens. 4558 samples. Type: Expression profiling by high throughput sequencing.
An adaptive and interpretable modeling architecture assisted rapid and reliable consensus prediction for hazardous properties of chemicals
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