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Simulations Plus Releases ADMET Predictor® 11

New functionality, models, and partner data power predictive accuracy from the industry-leading machine learning platform

Simulations Plus, Inc. (Nasdaq: SLP), a leading provider of modeling and simulation solutions for the pharmaceutical and biotechnology industries, today announced the release of ADMET Predictor® 11, its flagship machine learning modeling platform.

The latest version of ADMET Predictor includes:

  • New industry partner data that more than doubles the number of ionization constants (pKa), leading to enhanced predictive accuracy and wider applicability of our S+pKa model
  • New functionality to perform 3D virtual screening based on shape and pharmacophore-feature similarity
  • New CYP inhibition (Ki) models to allow for rapid drug-drug interaction (DDI) risk assessment
  • Significant enhancements to the AI-driven drug design (AIDD) module

“The advancements the team incorporated into ADMET Predictor 11 enable us to seamlessly connect research endeavors across biology, chemistry, and early drug development phases,” stated Dr. David Miller, Vice President of ADMET Cheminformatics. “With the enriched and expanded property prediction models, combined with the newly introduced 3D virtual screening functionality, the AIDD module becomes an even more valuable tool, opening doors for accelerated hit-to-lead and lead optimization stages.”

“Amidst the growing adoption of machine learning in the pharmaceutical industry, there has been an influx of software platforms boasting machine learning capabilities,” commented Dr. Robert Fraczkiewicz, Research Fellow at Simulations Plus and project leader for the pKa collaborations. “However, it is important to recognize that rapid and reliable predictions cannot be achieved through machine learning alone. It necessitates training on premium, extensively curated datasets and the implementation of refined, time-tested algorithms. ADMET Predictor 11 stands out as the sole platform in the market that fulfills all these key criteria, setting a new benchmark for excellence in the field.”

“We continue to support our clients through the integration of machine learning with mechanistic modeling,” added Dr. Eric Jamois, Senior Director of Key Accounts and Strategic Alliances. “The latest advancements enable our users to complement high-throughput pharmacokinetic (HTPK) simulations with rapid assessment of drug-drug interaction (DDI) liabilities, powering the novel selection of clinical candidates. We are proud to deliver this cutting-edge version to our expanding user community and help propel drug discovery research to unprecedented heights.”

Visit the Simulations Plus website to learn more about ADMET Predictor 11.

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 artificial intelligence (AI)/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 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 ESG website.

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.


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