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New artificial intelligence-driven drug design functionality offers scientists unrivaled methods for lead optimization
Simulations Plus, Inc. (Nasdaq: 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 10.0 of its flagship machine learning modeling platform, ADMET Predictor®, The new release will be marketed as APX™.
Key enhancements in APX include:
New AIDD Module for AI-Driven Drug Design using multi-objective compound optimization integrated with physiologically based pharmacokinetic (PBPK) models
New Transporters Module containing machine learning models for pivotal transporters under regulatory guidance
Significant improvements to the HTPK Simulation Module driven by our strategic collaboration with a large pharmaceutical partner
Multi-threading capabilities for all prediction processes, including mechanistic HTPK simulations
The new AIDD Module will take one or more lead molecules and optimize them against any combination of target endpoints, including our top-rated machine learning ADMET property predictions, custom activity models, and, through unparalleled software engineering, mechanistic PBPK simulations. Chemists also have total control over which part(s) of the lead molecule may be altered as part of the optimization and which should be maintained, while also having the flexibility to define the chemistry based on synthetic feasibility constraints or prior knowledge about the target. The end product is an innovative approach to rapidly and accurately evaluate the impact of structural modifications, within a virtual animal or human model, in advance of synthesis.
"No other company has been able to couple generative chemistry with best-in-class GastroPlus® PBPK models as we have done with the AIDD Module," said Dr. Marvin Waldman, senior research fellow and chief architect of the new module. "Scientists will now be able to explore untapped areas of chemical space and evaluate up to 10,000,000 virtual molecules per day using any combination of property endpoints, including animal and human exposure."
"This is a significant breakthrough for the platform, but we did not stop there," added Dr. David Miller, vice president of ADMET cheminformatics. "We have also put our best minds to work to deliver new machine learning models for transporters, which play critical roles in drug-drug interactions, while adding new capabilities to the HTPK Simulation Module. Also, for all prediction processes, we implemented multi-threading capabilities to boost computing performance five-fold over previous versions of the platform."
John DiBella, Lancaster division president, said: "These new AIDD and Transporters add-on modules, combined with all other improvements in APX, should help us accelerate the growth momentum in ADMET Predictor achieved over the past several years. And, thanks to a strong scientific and technological innovation pipeline in place with our partners, we will continue to drive advances in several exciting new areas."
About Simulations Plus, Inc.
Simulations Plus, Inc., is a leading provider of modeling and simulation software and consulting services supporting drug discovery, development research, and regulatory submissions. With our subsidiaries, Cognigen, DILIsym Services, and Lixoft, we offer solutions which 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, chemical, consumer goods companies and regulatory agencies worldwide. 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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