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Data-Driven Method to Estimate Nonlinear Chemical Equivalence.

ABSTRACT: There is great need to express the impacts of chemicals found in the environment in terms of effects from alternative chemicals of interest. Methods currently employed in fields such as life-cycle assessment, risk assessment, mixtures toxicology, and pharmacology rely mostly on heuristic arguments to justify the use of linear relationships in the construction of "equivalency factors," which aim to model these concentration-concentration correlations. However, the use of linear models, even at low concentrations, oversimplifies the nonlinear nature of the concentration-response curve, therefore introducing error into calculations involving these factors. We address this problem by reporting a method to determine a concentration-concentration relationship between two chemicals based on the full extent of experimentally derived concentration-response curves. Although this method can be easily generalized, we develop and illustrate it from the perspective of toxicology, in which we provide equations relating the sigmoid and non-monotone, or "biphasic," responses typical of the field. The resulting concentration-concentration relationships are manifestly nonlinear for nearly any chemical level, even at the very low concentrations common to environmental measurements. We demonstrate the method using real-world examples of toxicological data which may exhibit sigmoid and biphasic mortality curves. Finally, we use our models to calculate equivalency factors, and show that traditional results are recovered only when the concentration-response curves are "parallel," which has been noted before, but we make formal here by providing mathematical conditions on the validity of this approach.

SUBMITTER: Mayo M

PROVIDER: S-EPMC4497723 | biostudies-literature | 2015

REPOSITORIES: biostudies-literature

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Data-Driven Method to Estimate Nonlinear Chemical Equivalence.

Mayo Michael M Collier Zachary A ZA Winton Corey C Chappell Mark A MA

PloS one 20150709 7

There is great need to express the impacts of chemicals found in the environment in terms of effects from alternative chemicals of interest. Methods currently employed in fields such as life-cycle assessment, risk assessment, mixtures toxicology, and pharmacology rely mostly on heuristic arguments to justify the use of linear relationships in the construction of "equivalency factors," which aim to model these concentration-concentration correlations. However, the use of linear models, even at lo ...[more]

PMID: 26158701

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Project description:This paper proposes new ways to assess handwriting, a critical skill in any child's school journey. Traditionally, a pen and paper test called the BHK test (Concise Evaluation Scale for Children's Handwriting) is used to assess children's handwriting in French-speaking countries. Any child with a BHK score above a certain threshold is diagnosed as 'dysgraphic', meaning that they are then eligible for financial coverage for therapeutic support. We previously developed a version of the BHK for tablet computers which provides rich data on the dynamics of writing (acceleration, pressure, and so forth). The underlying model was trained on dysgraphic and non-dysgraphic children. In this contribution, we deviate from the original BHK for three reasons. First, in this instance, we are interested not in a binary output but rather a scale of handwriting difficulties, from the lightest cases to the most severe. Therefore, we wish to compute how far a child's score is from the average score of children of the same age and gender. Second, our model analyses dynamic features that are not accessible on paper; hence, the BHK is useful in this instance. Using the PCA (Principal Component Analysis) reduced the set of 53 handwriting features to three dimensions that are independent of the BHK. Nonetheless, we double-checked that, when clustering our data set along any of these three axes, we accurately detected dysgraphic children. Third, dysgraphia is an umbrella concept that embraces a broad variety of handwriting difficulties. Two children with the same global score can have totally different types of handwriting difficulties. For instance, one child could apply uneven pen pressure while another one could have trouble controlling their writing speed. Our new test not only provides a global score, but it also includes four specific score for kinematics, pressure, pen tilt and static features (letter shape). Replacing a global score with a more detailed profile enables the selection of remediation games that are very specific to each profile.

Dataset Information

Data-Driven Method to Estimate Nonlinear Chemical Equivalence.

Publications

Data-Driven Method to Estimate Nonlinear Chemical Equivalence.

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