QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structureElectronic supplementary information (ESI) available: Table S1 reports the list of the 250 chemicals investigated, the experimental and predicted values of the studied endpoints, the values of the molecular descriptors selected for the proposed QSAR Model, information on the structural Applicability Domain, and the results of the PBT screening by U.S EPA PBT profiler and by our approach. Table S2 reports the results of the comparative screening of 45 chemicals by different approaches. Tables S1 and S2 are available as PDF and SDF files. SMILES for structures reported in SDF files were generated by EPI Suite 4.0. See DOI: 10.1039/b923843c - Papa, Ester; Gramatica, Paola (Green Chemistry, 2010)