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Simulations Plus Releases ADMET Predictor® Version 9.5

LANCASTER, Calif.--(BUSINESS WIRE)--

New machine learning models and novel analysis methods address customer requests

Simulations Plus, Inc. (SLP), the leading provider of modeling and simulation solutions for the pharmaceutical, biotechnology, chemicals, and consumer goods industries, today announced that it has released version 9.5 of its flagship machine learning modeling platform, ADMET Predictor®.

Key improvements include:

  • Novel approaches to calculate uncertainty estimates on all regression models
  • New machine learning models for important metabolism and transporter endpoints
  • New machine learning models for AMES mutagenicity, a primary toxicity endpoint required during risk assessment
  • New Structure Sensitivity Analysis visualization tool to easily map atom-level contributions to model predictions
  • Improved rat-specific models to more accurately inform HTPK Simulation predictions
  • Improved Pipeline Pilot and KNIME components to extend deployment options and enterprise support for ADMET Predictor
  • Updates to output displays in MedChem Designer™
  • And more…

Dr. David Miller, director of ADMET cheminformatics, said: “Our team of talented scientists and software engineers introduced a significant amount of innovative functionality, not available in other software, in this release of ADMET Predictor. In particular, the ability of chemists to now ‘see’ how a molecule could be optimized for important ADMET properties tells a story that can be easily communicated across departments as research programs progress. This further establishes our machine learning platform as an industry leader and will be welcomed by clients.”

Lancaster division president, John DiBella, added: “We continue to realize solid growth in the number of companies, from small to large, and regulatory agencies that license ADMET Predictor. Our best-in-class machine learning methods are now being applied to more enzyme and transporter isoforms, which, when paired with our physiologically-based pharmacokinetic models in GastroPlus®, provide holistic insights to support discovery research efforts. We are excited to demonstrate these new features in version 9.5 and, coupled with recent investments in marketing and sales, expect to see accelerated expansion of the client base.”

About Simulations Plus, Inc.

Simulations Plus, Inc., is a premier developer of drug discovery and development software as well as a leading provider of both preclinical and clinical pharmacometric consulting services for regulatory submissions and quantitative systems pharmacology models for drug-induced liver injury, drug-induced kidney injury, and nonalcoholic fatty liver disease. The company is a global leader focused on improving the ways scientists use knowledge and data to predict the properties and outcomes of pharmaceutical, biotechnology, and chemical agents. Our software is licensed to and used in the conduct of drug research by major pharmaceutical, biotechnology, chemical, and consumer goods companies and regulatory agencies worldwide. Our innovations in integrating new and existing science in medicinal chemistry, computational chemistry, pharmaceutical science, biology, and physiology into our software have made us the leading software provider for physiologically based pharmacokinetic modeling and simulation. For more information, visit our website at www.simulations-plus.com.

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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