In-Silico PBPK Modeling and Simulation
Accelerating Timelines with Predictive Intelligence
After foundational physicochemical characterization is completed, in-silico modeling and simulation provide a powerful framework for predicting in vivo drug behavior. Physiologically Based Pharmacokinetic PBPK modeling enables in vitro–in vivo extrapolation (IVIVE) and supports early evaluation of absorption, distribution, metabolism, and transport (ADME) risks.
Why Integrate In Silico Modeling Into Your Development Program?
Integrating in-silico PBPK modeling into early drug development enables more informed decisions across Chemistry, Manufacturing, and Controls (CMC) and clinical strategy. By combining experimental data with mechanistic physiological models, developers can perform IVIVE to predict drug absorption, distribution, and exposure.
Early identification of absorption and formulation risks allows teams to refine dose selection, formulation strategy, and development timelines, reducing costly trial-and-error and improving overall program efficiency.
GastroPlus® — The Industry Standard
Crystal Pharmatech provides Physiologically Based Pharmacokinetic pbpk modeling and simulation in drug research and development using GastroPlus®, one of the pharmaceutical industry’s most widely adopted platforms for predicting drug absorption and disposition in humans and preclinical species.
By integrating experimental physicochemical data with mechanistic physiological models, GastroPlus® enables accurate prediction of drug exposure, absorption limitations, and formulation impacts, supporting optimized development strategies from preclinical studies through early clinical trials.
GastroPlus® is a registered trademark of Simulation Plus, Inc. Confirm trademark usage with your legal team before publishing.
Predictive Modeling Capabilities
PBPK modeling software integrates experimental data with mechanistic physiological models to simulate drug behavior across biological systems. These simulations support prediction and optimization of key ADME parameters, including:
Solubility and pKa-dependent dissolution behavior
Systemic absorption and metabolism pathways
Drug transport mechanisms and tissue distribution
Accelerating the Path to First-in-Human Studies
PBPK modeling supports faster and more informed development decisions by enabling early prediction of clinical pharmacokinetics and dosing strategies.
These simulations help drug developers:
Predict tissue-specific solubility and drug distribution
across complex physiological environments.
Develop advanced pharmacokinetic models
using mechanistic and non-compartmental analysis approaches.
Optimize dosing strategies
by evaluating species differences, formulation effects, and dosing routes (oral and injectable).
By integrating predictive modeling early, PBPK simulations can significantly reduce development uncertainty and support successful First-in-Human (FIH) study design.
Crystal Pharma, founded in 2010, is a global contract research organization with approximately 300 employees and four R&D centers in New Jersey (USA), San Francisco (USA), Toronto (Canada), and Suzhou (China). Collectively, these sites provide integrated support for pharmaceutical and biotechnology companies worldwide. Crystal Pharmatech is a leading pharma tech CRO/CDMO company specializing in solid-state research and advanced formulation development for small molecule drugs.
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