Simple Method (CHEM-SP) to Predict Solubility from 2-D Chemical Structures
Jun Xia Qiu, Jun Li, Jacob W. Albrecht, Jacob M. Janey · Organic Process Research & Development · 2020
Computerized Human Expert Method for Solubility Prediction (CHEM-SP) is a simple method that can be used to predict solubility in water and organic solvents, from two-dimensional (2-D) chemical structures in conjunction with a reference solubility library. Compared to other solubility prediction models, it is very simple to execute and produces results that are equivalent or better.