In 1996, Simulations Plus (S+) set out to empower pharmaceutical scientists to better understand and predict drug behavior through the use of modeling, simulation, and artificial intelligence and machine learning (AI/ML) technologies.

Thirty years later, the results speak for themselves: successful approvals, breakthrough research, and technologies that are now considered essential across the industry.

As we celebrate this milestone, we’re highlighting successes that showcase how we’ve supported innovators across the industry as they advance the science of drug development and produce the next generation of therapies.

Innovation
Leadership & Investment
Real World Impact
01.
Innovation

Behind every new medicine is a story of curiosity, persistence, and bold thinking. Our customers are expanding what’s possible—using our solutions to model complex systems, integrate AI/ML insights, improve clinical operations, and move from uncertainty to success.

Early Computational Innovation

Published in 2001, this foundational article demonstrated our early leadership in computational drug modeling. By showing how digital simulation could accelerate NDA submissions and reduce experimental demands, it positioned us among the first to apply model-informed methods to drug discovery and development.

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S+ and the Polish Academy of Sciences collaboratively validated ADMET Predictor® models through AI-enhanced drug design, enhancing overall confidence in predictive modeling.
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Extended the traditional linear mixed-effects regression approach to nonlinear models, with automated evaluation of multiple candidates—now available to the industry as a free Monolix add-on (Conc-QT).  
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Developed the first-ever integrated platform to generate rank-order predictions of drug-induced liver injury (DILI) risk during discovery, further advancing safety assessment in early research.
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Lukacova Kp Equation

Named after our Chief Scientific Officer, Viera Lukacova, after she and colleagues developed and published it in 2008. The equation is used to predict tissue-to-plasma partition coefficient of a drug and allows modelers to more accurately predict how it will distribute throughout the body.

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S+ & industry partners pioneered the formalization of PBPK modeling for first-in-human dosing, transforming it from research concept to a trusted tool for regulatory submissions.
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Developed a mechanistic model linking formulation properties to ocular bioavailability, advancing support for topical drug development and design.
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Partnered with PhinC Development to improve pediatric mAb pharmacokinetic predictions through advanced PBPK modeling approaches.
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S+ partnered with three industry leaders to launch S+pKa, an advanced pKa model that boosts ADMET Predictor® accuracy and reliability.
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“Simulations Plus had to bypass several key planning steps in order to complete a most unpredictable deliverable under a very aggressive timeline. Still, your team’s “all hands-on deck” approach brought us to what I would consider the best position we could possibly make for ourselves on this program, and the whip cream on top is a trusted team of consultants with the exact background we need to field future questions from FDA. I couldn’t ask for more.”

-Sr Clinical Research Scientist

02.
Leadership & Investment

The future of model-informed drug development (MIDD) depends on shared knowledge and collaboration. Through our partnerships, peer-reviewed research, and global regulatory engagement, we are helping define the standards that guide our industry.

With 15+ FDA grants and $5M+ funding, S+ advances PBPK modeling, from dermal & pulmonary tools to virtual bioequivalence & injectables, accelerating regulatory science and innovation.

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Free one-year access to S+ software for students and educators worldwide—renewable and designed to empower the next generation of model-informed drug development innovators.

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DILIsym® simulations confirmed treatment guidelines remain effective for extended-release acetaminophen overdoses.
 
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Dr. Viera Lukacova honored as Fellow by the American Association of Pharmaceutical Scientists.
 
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S+ hosted an eight-week global PBPK modeling camp for students and professors expanding academic access.
 
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S+ celebrated its 25th anniversary with a $25,000 gift to Girls Who Code, supporting diversity and closing the gender gap in technology.
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ISoP Fellowship Honor

Honored as a Fellow of the International Society of Pharmacometrics (ISoP), Jill Fiedler-Kelly was recognized for her pioneering contributions to population PK/PD modeling, mentorship, and advancing quantitative pharmacology education and global scientific collaboration.

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ASCPT appointed Dr. Lisl Shoda to lead its new Women in Science group, promoting mentorship, equity, and community for women in clinical pharmacology.  
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S+ partnered with CECYPE to launch a certificate program in bioequivalence and applied pharmacometrics for innovators, regulators, and academics across Latin America.
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Drs. Nacho Gonzalez-Garcia and Carlos Fernandez Teruel were elected as the first President and Vice President of SEFARM, advancing the field of pharmacometrics.
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Amparo de la Peña was elected to the International Society of Pharmacometrics (ISoP) Board of Trustees for 2024, further elevating S+’s profile in modeling and simulation.
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“For Biotech companies, finding strategic partnerships is a necessity in streamlining our development programs to save time and money. Simulations Plus nimbly partnered on a program to not only develop a PBPK model, but to also develop a DDI regulatory roadmap that informed our regulatory approach towards NDA filing and helped to design the next steps of our program. Their knowledge of the area and ease of partnering exceeded my expectations.”

-Sr. Vice President, Pharmaceutical Sciences

03.
Real World Impact

Innovation matters most when it delivers results. That’s why our customers rely on us to achieve faster timelines, smarter study designs, and reduced risk—streamlining regulatory submissions and saving months and millions during development.

Roche Formulation Modeling

Using the GastroPlus® PBPK platform, simulations evaluated solubility and permeability impacts for Roche’s R1315 drug, guiding formulation decisions and narrowing candidate options before Phase 1. The mechanistic model revealed that absorption was dominated by gastrointestinal transit rather than dissolution, enabling selection of a standard granulated capsule formulation and avoiding unnecessary development costs.

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Simulation-driven training enhanced investigator engagement and protocol adherence across clinical studies.
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Adaptive learning helped a medical education provider close knowledge gaps in Type II diabetes management.
 
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Using GastroPlus, S+ modeled altered gastric pH effects, allowing a client to avoid a costly DDI clinical trial.
 
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S+ authors set a new industry benchmark with a PBBM for acalabrutinib, advancing regulatory best practices in biopharmaceutics.
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Fezolinetant Dose Modeling

Using advanced QST modeling, the team predicted the liver-safety issues observed in Phase 2 and optimized dosing for Fezolinetant (30 mg and 45 mg) to successfully progress the program into Phase 3. The work leveraged DILIsym®, a mechanistic modeling platform that simulates drug-induced liver injury to guide safer, data-driven development decisions.

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Using QST, S+ enabled Biohaven to evaluate hepatotoxicity risks early, ensuring liver safety and regulatory success.
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Simulation tools improved NAFLD trial recruitment by identifying inclusion barriers and optimizing study design.
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PBPK modeling with GastroPlus allowed a client to justify wider dissolution specifications for two tablet strengths, avoiding costly clinical trials and saving millions.
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“We were very impressed with the details and clear explanations provided in the Statistical Analysis Plan.”

-Top 10 Pharma