Solubility Correlations of Common Organic Solvents

We describe general organic solvent
solubility correlations derived
from methodology that analyzed 63 240 pieces
of automation-enabled
solubility data of pharmaceutically relevant compounds and synthetic
intermediates. A total of 1125 solubility screening panels were empirically
collected on 905 distinct solutes using an Unchained Laboratories
(formerly Symyx and Freeslate) automated solubility workflow over
the last 15 years. Mining and analyzing these results revealed statistically
significant solubility correlations between many solvent pairs and
hierarchical clustering of most common organic solvents. This has
enabled more efficient experimental solubility surveys by reducing
the number of solvents in the experimental design, resulting in savings
of both material and throughput.