Additional file 1 of Profiling and analysis of chemical compounds using pointwise mutual information

Additional file 1. Compound sets used for synthetic accessibility analysis (nonpher - 693 353 HS compounds, zinc_random – 693 353 ES compounds, savi - 610 245 ES compounds, scubidoo – 999 749 ES compounds) including excessively complex (i.e., HS) compounds (nonpher_complex – 161 compounds, savi_complex – 2 930 compounds, scubidoo_complex – 104 compounds, gdb_complex – 3 581 compounds).