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The data for substances not used for the fitting could be estimated with an average absolute error of 4.99% (the error for substances used for parameter fitting was only 1.21%).
For example, ChEMBL provides the cross-reference between an assay and the article from which bioactivity information for that assay were extracted, and therefore, literature evidence on bioactivity data for substances tested in that assay can be deduced from the AID-PMID cross-reference.
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The toxicological data for these substances were compiled in substance dossiers.
A hazard assessment for reproductive toxicity according to the classification and labeling criteria will hence be possible only with the REACH data required for substances in the ≥ 100 metric tonnage bands and only to the extent that these test requirements are proposed and approved by the industry and the authority.
This threshold is derived from a comprehensive compilation of experimental data for inert substances with a narcotic mode of action and therefore currently restricted to such substances.
As the spectral and retention time data for the substances in the individual datasets were processed independently with different collision energies and ionization modes, none of the overlapping substances were removed from the datasets.
The results are (44) As an example of the use of these equations, equation (35) for CP − CV contains the partial derivative which vanishes for an ideal gas and is difficult to evaluate directly from experimental data for real substances.
As part of the ENRIECO project, we evaluated existing human biomonitoring data for these substances in European birth cohorts and develop recommendations for more harmonized methods that will enable combination and comparison of cohort data in the future.
If reliable biokinetic data for the substances are available, the program enables calculations of absorbed dose and effective dose up to 1252 radionuclides published in ICRP Publication 107.
In total, we extracted classification and labelling data for 4136 substances (of which 139 were mixtures) from Annex VI of the CLP Regulation.
The focus of our search was on PPPs but, where relevant, data for other substances were used to inform our analysis.
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