Databases Biological Response

Current efforts to extrapolate mixture effects are dominated by TU-based approaches, which result in prediction error when the models are used for situations where the concentrations deviate from the original effect level that is used to define TU. Provided that the data are available, mixture extrapolation at the species level may improve by using the proposed higher tier protocols. It should be acknowledged, however, that the data needed for such an enterprise at the species level are not systematically stored in databases, as is the case for the databases available to construct SSDs (see Section 5.6.1). For a significant advancement, researchers therefore should strive for full-curve modeling over point-estimate models (i.e., to model at Tier-2 and Tier-3). The major requirement would therefore be to not only produce but also report systematically on concentration response functions for individual compounds, as this would allow prediction of any yet untested mixture for the same biological response. 

Another likely trend is the availability of new chemical databases for in-house use. We are already seeing this. Examples are additional reaction libraries, chemical structure, biological response, and bibliographic databases tailored to particular areas of interest, as well as additional collections of physico- chemical property data such as log P,pKa, and spectra libraries. ... 

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