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The elaborated data for this paper are available by contacting the corresponding author ([email protected]).
The elaborated data were obtained from public databases, while the evaluation was based on accuracy, precision, and recall, which were obtained from the best operating points of the global receiver operating characteristic (ROC) curve (resulting from merging the prediction scores for all ADRs).
where data are the raw data (toxicity and chemical); information is the elaborated data as processed during the modelling phase; and knowledge is the final model output.
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VR conceived and designed the study, contributed to the sampling, elaborated data, and drafted the manuscript.
SCB supervised the work, elaborated data, and was involved in drafting the manuscript and in the design of the study.
RF carried out the majority of experiments, analyzed and elaborated data, and drafted the manuscript, MB carried out experiments, LO prepared the ObR antagonist and analyzed data, ES designed the study, analyzed data and edited the final manuscript.
In the second study we elaborated data from another previously performed experiment [ 10, 11].
Maria Rosaria Gualano and Fabrizio Bert conceived the research; Maria Rosaria Gualano, Fabrizio Bert, Giacomo Scaioli, and Stefano Passi elaborated data and drafted the paper; Giuseppe La Torre and Roberta Siliquini revised the paper.
Elaborated data are reported in Table 1, which also details the choice of distributions allocated to each parameter in the model.
We have elaborated data from a previous investigation [ 9].
SM, VA, GC, StB and SiB collected and elaborated data.
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