Simulations Plus, Inc. announced it has entered a new collaboration with a large pharmaceutical company to extend the industry's top-rated machine learning models for the prediction of ionization constants (pKa) in the ADMET Predictor® platform. In this collaboration, the partner company will contribute tens of thousands of proprietary pKa measurements. The team at Simulations Plus will aim to leverage the expansive databases to improve the accuracy of predictions, and extend the chemical coverage space, using its novel machine learning and atomic descriptor calculation methods.