Simulations Plus Releases ADMET Predictor® Version 12

Rhea-AI Summary

Simulations Plus (Nasdaq: SLP) has released version 12.0 of ADMET Predictor® (AP12), its flagship machine learning platform for drug discovery and optimization. Key enhancements include:

1. Enhanced models with 30% larger training sets for improved predictive accuracy
2. Advanced High-Throughput Pharmacokinetics (HTPK) options
3. Artificial Intelligence-Driven Drug Design (AIDD) with 3D shape matching and tissue sensitivities
4. New Drug-Induced Liver Injury (DILI) module for early drug development
5. Boosted ANN Regression Models and 37 new descriptors in ADMET Modeler™
6. Improved usability and informatics features

These upgrades aim to enhance prediction confidence, workflow integration, and automation capabilities for drug discovery research.

Positive

• Release of ADMET Predictor® Version 12.0 with significant enhancements
• 30% average increase in training set sizes for key models
• Introduction of new DILI module for early drug development
• Integration of 3D shape matching and tissue sensitivities in AIDD
• Addition of 37 new descriptors in ADMET Modeler™

Negative

• None.

Insights

Tech Expert

The release of ADMET Predictor® Version 12 (AP12) by Simulations Plus represents a significant advancement in biosimulation and AI-driven drug design. As a tech expert, I'm particularly impressed by the 30% average increase in training set sizes for key models, which should substantially improve predictive accuracy. This enhancement is important for more reliable drug discovery and optimization processes.

The integration of 3D shape matching and tissue sensitivities as new objectives in the Artificial Intelligence-Driven Drug Design (AIDD) module is a game-changer. This feature will allow researchers to more effectively optimize lead compounds, potentially accelerating the drug development pipeline and reducing costs.

The introduction of the new DILI (Drug-Induced Liver Injury) module is particularly noteworthy. By supporting high-throughput DILIsym® predictions in early drug development, this feature could significantly reduce the risk of late-stage failures due to liver toxicity issues, a major concern in drug development.

From a technical perspective, the addition of 37 new descriptors in ADMET Modeler™ and the implementation of boosted ANN regression models demonstrate Simulations Plus's commitment to staying at the forefront of machine learning applications in drug discovery. These enhancements should provide users with more robust and versatile modeling capabilities.

Overall, AP12 appears to be a substantial upgrade that could potentially reshape early-stage drug discovery processes, offering improved accuracy, efficiency and risk assessment capabilities to pharmaceutical researchers.

Medical Research Analyst

The release of ADMET Predictor® Version 12 (AP12) marks a significant leap forward in predictive modeling for drug discovery and development. The enhancements in this version address several critical areas that could substantially impact the efficiency and success rate of early-stage drug research.

Of particular interest is the improvement in models for microsome and hepatocyte clearance, protein binding and biorelevant solubilities. These parameters are important for understanding a drug's pharmacokinetic profile and potential efficacy. The increased accuracy in these predictions could lead to better candidate selection and reduced attrition rates in later stages of development.

The new High-Throughput Pharmacokinetics (HTPK) features, including options for solution dosing and species-specific simulations, offer greater flexibility in preclinical studies. This could potentially reduce the need for animal testing and accelerate the transition from discovery to clinical trials.

Perhaps most exciting is the introduction of the DILI (Drug-Induced Liver Injury) module. DILI is a major cause of drug attrition and post-market withdrawals and early prediction of this risk could save pharmaceutical companies billions in development costs. The ability to perform high-throughput DILIsym® predictions in early development stages is a significant advancement in drug safety assessment.

These improvements in AP12 collectively represent a powerful tool for researchers to make more informed decisions earlier in the drug development process, potentially leading to safer, more effective drugs reaching patients faster and at lower costs.

Financial Analyst

The release of ADMET Predictor® Version 12 (AP12) by Simulations Plus (Nasdaq: SLP) is a significant development that could positively impact the company's market position and financial performance. As a financial analyst, I see several key points that investors should consider:

1. Enhanced Competitive Edge: The substantial improvements in AP12, including the 30% average increase in training set sizes for key models, position Simulations Plus at the forefront of biosimulation technology. This could lead to increased market share and customer retention in the highly competitive pharmaceutical technology sector.

2. Potential Revenue Growth: The new features, particularly the DILI module and enhanced AIDD capabilities, could attract new customers and encourage existing clients to upgrade, potentially driving revenue growth. The pharmaceutical industry's increasing focus on AI-driven drug discovery aligns well with these enhancements.

3. Cost Savings for Clients: By improving the accuracy of early-stage drug discovery and development processes, AP12 could help pharmaceutical companies reduce costly late-stage failures. This value proposition could justify premium pricing and lead to stronger customer relationships.

4. Expansion into New Markets: The integration of high-throughput DILIsym® predictions opens up new opportunities in the drug safety assessment market, potentially diversifying Simulations Plus's revenue streams.

5. Long-term Growth Prospects: The continuous innovation demonstrated by this release suggests a strong R&D pipeline, which is important for maintaining long-term growth in the technology sector.

While it's challenging to quantify the immediate financial impact without specific sales projections, the release of AP12 appears to strengthen Simulations Plus's market position and long-term growth prospects. Investors should monitor the adoption rate of AP12 and its impact on the company's financial performance in the coming quarters.

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

LANCASTER, Calif.--(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.

View source version on businesswire.com: https://www.businesswire.com/news/home/20240730491945/en/

Simulations Plus Investor Relations

Renee Bouche

661-723-7723

renee.bouche@simulations-plus.com

Financial Profiles

Lisa Fortuna

310-622-8251

slp@finprofiles.com

Source: Simulations Plus, Inc.

FAQ

What are the key features of ADMET Predictor® Version 12.0 released by Simulations Plus (SLP)?

ADMET Predictor® Version 12.0 includes enhanced models with 30% larger training sets, advanced High-Throughput Pharmacokinetics options, AI-Driven Drug Design with 3D shape matching, a new Drug-Induced Liver Injury module, boosted ANN Regression Models, and 37 new descriptors in ADMET Modeler™.

How does the new version of ADMET Predictor® improve predictive accuracy for Simulations Plus (SLP)?

ADMET Predictor® Version 12.0 offers enhanced models with an average 30% increase in training set sizes for key predictions such as microsome and hepatocyte clearance, protein binding, biorelevant solubilities, and MDCK-LE/PAMPA permeability, resulting in greater predictive accuracy.

What new module has Simulations Plus (SLP) introduced in ADMET Predictor® Version 12.0 for early drug development?

Simulations Plus has introduced a new Drug-Induced Liver Injury (DILI) module in ADMET Predictor® Version 12.0, which includes the first DILI endpoint models to support high-throughput DILIsym® predictions in early drug development.

How does ADMET Predictor® Version 12.0 enhance Artificial Intelligence-Driven Drug Design for Simulations Plus (SLP)?

ADMET Predictor® Version 12.0 enhances AI-Driven Drug Design by integrating 3D shape matching and tissue sensitivities based on tissue Kp values as new objectives, facilitating innovative lead optimization processes.