Simulations Plus, Inc. (Nasdaq: SLP), a leading provider of modeling and simulation software and services for pharmaceutical safety and efficacy, today announced that it has received the second phase of experimental results from a collaborative research agreement it entered with a large pharmaceutical company in mid-2020 to evaluate the impact of the new Artificial Intelligence-driven Drug Design (AIDD) Module in ADMET Predictor^®.

Dr. Michael Lawless, Senior Principal Scientist at Simulations Plus and co-PI on the project, said: “The good news keeps rolling in from this collaboration. One of our main objectives was to design new molecules which had measured activity below 50 nanomolar (nM), as this reflects affinity for the target in the therapeutic program of interest. Of the 19 molecules synthesized in this second phase, nearly 30% met that goal, with potencies as low as 16 nM. Just as important, the average predictive errors for rat and human microsomal clearance, estimated using the ADMET Predictor default metabolism models, were 3-fold, illustrating the potential for integrating physiologically based pharmacokinetic (PBPK) modeling within the AIDD Module and reliably applying systemic exposure considerations during lead compound selection.”

“The results obtained testify to the power of combining interactive human input with the artificial intelligence ‘learning’ embedded in the ADMET Predictor platform,” added Dr. Eric Jamois, Director of Business Development. “We and our partners look forward to presenting and publishing details of this validation of the AIDD Module in the coming months. We also received valuable feedback on ways to enhance the functionality which we will update in this fall’s release of ADMET Predictor.”