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Automated Grouping of Nanomaterials and Read-Across Prediction of Their Adverse Effects Based on Mathematical Optimization

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0 Published in 2021 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.1c00199

Abstract: In this study, a computational workflow is presented for grouping engineered nanomaterials (ENMs) and for predicting their toxicity-related end points. A mixed integer-linear optimization program (MILP) problem is formulated, which automatically filters out the noisy… read more here.

Keywords: nanomaterials read; across prediction; optimization; read across ... See more keywords