Simulations Plus Enters New Collaboration to Enhance Machine Learning Models for Ionization Constants (pKa)

Rhea-AI Summary

Simulations Plus (NASDAQ: SLP) announces a collaboration with a large pharmaceutical company to enhance its ADMET Predictor® platform. The partner will provide tens of thousands of proprietary pK_a measurements to improve prediction accuracy and extend chemical coverage. This initiative aims to reinforce ADMET Predictor as the leading property prediction tool in drug discovery, leveraging advanced machine learning techniques. The collaboration is expected to significantly advance predictive modeling within the pharmaceutical sector.

Positive

• New collaboration with a large pharmaceutical company to enhance ADMET Predictor® platform.
• Partner will contribute tens of thousands of proprietary pK_a measurements.
• Improved prediction accuracy and extended chemical coverage expected.
• Strengthens position of ADMET Predictor as a leading property prediction tool.

Negative

• None.

Extensive data sharing with large pharmaceutical partner will expand property prediction space and improve model performance

LANCASTER, Calif.--(BUSINESS WIRE)-- Simulations Plus, Inc. (Nasdaq: SLP), a leading provider of modeling and simulation software and services for pharmaceutical safety and efficacy, today 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 (pK_a) in the ADMET Predictor® platform.

In this collaboration, the partner company will contribute tens of thousands of proprietary pK_a 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.

Dr. Robert Fraczkiewicz, Research Fellow and project lead, said: “The ionization of molecules in water impacts nearly all properties driving the absorption, distribution, metabolism, and elimination processes which occur in vivo and determine whether a molecule can be turned into a drug. We identified early the importance of accurately, and rapidly, predicting this information using machine learning approaches and were fortunate to benefit from government grants and other collaborations over the years to develop novel 2D pK_a models which have consistently outperformed other software and are on par with the accuracy of the best computationally intensive ab initio methods. This new partnership will enhance our current approaches and further distinguish ADMET Predictor as the preeminent property prediction platform in the drug discovery space. We value the trust and confidence our partner has in the people and technologies at Simulations Plus, and our team is looking forward to working with them to achieve our mutual goals.”

“The surging popularity of our pK_a models and associated ionization-related property predictions, coupled with the seamless integration with the GastroPlus® platform in our high-throughput pharmacokinetic (HTPK) simulation technology, have contributed to the accelerated adoption of ADMET Predictor at the interface between discovery and development,” added Dr. Eric Jamois, director for key accounts and strategic alliances. “This new collaborative effort will combine the strengths of both companies and result in significant advancements for predictive modeling. Simulations Plus ensures that improvements made to ADMET Predictor are available for all clients to apply to their research activities, and we continue to invite future collaborations which benefit our entire user community and, most importantly, the patients that we serve.”

About Simulations Plus

Serving clients worldwide for more than 25 years, Simulations Plus is a leading provider in the biosimulation market providing software and consulting services supporting drug discovery, development, research, and regulatory submissions. We offer solutions that bridge machine learning, physiologically based pharmacokinetics, quantitative systems pharmacology/toxicology, and population PK/PD modeling approaches. Our technology is licensed and applied by major pharmaceutical, biotechnology, and regulatory agencies worldwide. For more information, visit our website at www.simulations-plus.com. Follow us on LinkedIn | Twitter | 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 ESG Report.

Safe Harbor Statement Under the Private Securities Litigation Reform Act of 1995 – With the exception of historical information, the matters discussed in this press release are forward-looking statements that involve a number of risks and uncertainties. Words like “believe,” “expect” and “anticipate” mean that these are our best estimates as of this writing, but that 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 maintain our competitive advantages, acceptance of new software and improved versions of our existing software by our customers, the general economics of the pharmaceutical industry, our ability to finance growth, our ability to continue to attract and retain highly qualified technical staff, our ability to identify and close acquisitions on terms favorable to the Company, 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.

View source version on businesswire.com: https://www.businesswire.com/news/home/20220804005307/en/

Simulations Plus Investor Relations

Ms. Renee Bouche

661-723-7723

renee.bouche@simulations-plus.com

Hayden IR

Mr. Brian Siegel

346-396-8696

brian@haydenir.com

Source: Simulations Plus, Inc.

FAQ

What is the new collaboration announced by Simulations Plus (SLP) in August 2023?

Simulations Plus announced a collaboration with a large pharmaceutical company to enhance its ADMET Predictor® platform.

How will the collaboration impact the ADMET Predictor® platform of Simulations Plus (SLP)?

The collaboration will improve prediction accuracy and extend chemical coverage by utilizing tens of thousands of proprietary pK_a measurements.

What are the expected outcomes of the collaboration for Simulations Plus (SLP)?

The collaboration aims to reinforce ADMET Predictor as the premier property prediction tool in drug discovery and significantly advance predictive modeling.

What is pK_a and its significance in drug discovery for Simulations Plus (SLP)?

pK_a represents the ionization constant of molecules, impacting absorption, distribution, metabolism, and elimination processes critical in drug development.