Fig. 1

Workflow for data collection and data curation of datasets. Experimental data was collected from public repositories, public databases and scientific literature (step 1) and subjected to different steps of curation. The curation workflow standardized the chemical structures and ensures elimination of incorrect, duplicated compounds (step 2) and compounds with high experimental variability (step 3) for each individual dataset, as well as the detection of inconsistent values for the same property annotated in different datasets (step 4)