• Enhancements in key models power HT-PBPK simulations and AI-driven drug design with unprecedented performance and accuracy

LANCASTER, Calif. / Jul 30, 2024 / Business Wire / Simulations Plus, Inc. (Nasdaq: SLP) (“Simulations Plus”), a leading provider of biosimulation, simulation-enabled performance and intelligence solutions, and medical communications to the biopharma industry, today announced the release of version 12.0 of ADMET Predictor® (AP12), its flagship machine learning (ML) modeling platform for the discovery, design, and optimization of new molecules.

AP12 includes:

• Enhanced Models: New and expanded models offer greater predictive accuracy, with an average 30% increase in training set sizes, for microsome and hepatocyte clearance, protein binding, biorelevant solubilities, MDCK-LE/PAMPA permeability, and more.
• High-Throughput Pharmacokinetics (HTPK): New options for solution dosing, adjusted free fraction outputs, and species-specific simulations enhance the flexibility and precision of HTPK studies.
• Artificial Intelligence-Driven Drug Design (AIDD): Integration of 3D shape matching and tissue sensitivities (based on tissue Kp values) as new objectives, facilitating innovative lead optimization processes.
• New DILI Module: Introduction of the first drug-induced liver injury (DILI) endpoint models to support high-throughput (HT) DILIsym® predictions in early drug development.
• Boosted ANN Regression Models and added 37 new descriptors in ADMET Modeler™.
• General Usability and Informatics Improvements.

Dr. David Miller, Vice President of Cheminformatics, said: “ADMET Predictor 12 features substantial advancements in the critical components required to build high-quality machine learning models. This upgraded version integrates new premium data, novel descriptors, and robust algorithms that will increase our customers’ ability to predict with confidence. These enhancements reinforce our commitment to providing state-of-the-art tools for the scientific community.”

“Based on feedback from our customers, we are improving the accuracy of essential models as well as extending the software’s capabilities for integration and automation within existing workflows,” added Dr. Eric Jamois, Director of Key Accounts and Strategic Alliances. “The advances embedded in AP12 deliver downstream benefits in HTPK, AIDD, and now, HT-DILI. We are constantly innovating to take drug discovery research to the next level and are very excited to introduce this new version to our growing user community.”

Learn more about ADMET Predictor or request a demo.

About Simulations Plus, Inc.

With more than 25 years of experience serving clients globally, Simulations Plus stands as a premier provider in the biopharma sector, offering advanced software and consulting services that enhance drug discovery, development, research, clinical trial operations, regulatory submissions, and commercialization. Our comprehensive biosimulation solutions integrate artificial intelligence/machine learning (AI/ML), physiologically based pharmacokinetics (PBPK), quantitative systems pharmacology/toxicology (QSP/QST), and population PK/PD modeling approaches. We also deliver simulation-enabled performance and intelligence solutions alongside medical communications support for clinical and commercial drug development. Our cutting-edge technology is licensed and utilized by leading pharmaceutical, biotechnology, and regulatory agencies worldwide. For more information, visit our website at www.simulations-plus.com. Follow us on LinkedIn | X | YouTube.

Environmental, Social, and Governance (ESG)

We focus our Environmental, Social, and Governance (ESG) efforts where we can have the most positive impact. To learn more about our latest initiatives and priorities, please visit our website to read our 2023 ESG update.

Forward-Looking Statements

Except for historical information, the matters discussed in this press release are forward-looking statements that involve risks and uncertainties. Words like “believe,” “expect” and “anticipate” mean that these are our best estimates as of this writing, but there can be no assurances that expected or anticipated results or events will actually take place, so our actual future results could differ significantly from those statements. Factors that could cause or contribute to such differences include, but are not limited to: our ability to successfully integrate the recently acquired Pro-ficiency business with our own, as well as expenses we may incur in connection therewith, to maintain our competitive advantages, acceptance of new software and improved versions of our existing software, the general economics of the pharmaceutical industry, market conditions, macroeconomic factors, and a sustainable market. Further information on our risk factors is contained in our quarterly and annual reports and filed with the U.S. Securities and Exchange Commission.