Fig. 1

An overview of the curation of endpoint data and associated metadata for endpoints related to temperature dependent aqueous solubility which was carried out for our article. These endpoints were the enthalpy of solution and temperature specific solubility measurements for datasets curated starting from the work of Avdeef [17] and Klimenko et al. [14] respectively. The descriptions on the right hand side of this image refer to the curated datasets we prepared, starting from the information reported in these earlier studies and based on cross-referencing against other references where necessary, from which datasets for QSPR modelling were derived. Full details of the curation process, including explanations of how these curated datasets differed from those reported in the literature, are provided in Additional file 1. See the sections “Solubility data curation” and “Comparison to the literature” therein