Fig. 13

Flowchart describing the guidelines followed from compound standardization to data curation. Chemical structures are standardized and ionized using Chemaxon tools. To resolve some ambiguities the structures are verified in the ChemSpider database and in the CSD. Experimental meta-data are systematically retrieved, and the main chemical structure is extracted. The data are filtered according to the experimental conditions. When several thermodynamic solubility values are available, an entry is discarded if there is a doubt about which value to keep; otherwise, the median value is conserved.