Innovative PBPK software that supports screening, first-in-human dose prediction, early DDI, and formulation decisions

In the rapidly evolving landscape of pharmaceutical development, the difference between success and failure often lies in the decisions made during the earliest stages of drug discovery. Simcyp Discovery is a versatile tool designed to enhance decision-making during the pre-IND and translational stages of drug development. By leveraging physiologically-based pharmacokinetic (PBPK) modeling, this software enables researchers to answer critical “what if” questions without the need for costly and time-consuming clinical studies. Derived from the gold-standard Simcyp PBPK Simulator, Simcyp Discovery accelerates small molecule discovery and development, providing confidence in early-stage decision-making.

Key Features of Simcyp Discovery

• Diverse Modeling Capabilities: Supports a wide range of models, including minimal and full PBPK models, one-, two-, and three-compartment models, as well as First Order (FO) and Advanced Dissolution, Absorption, and Metabolism (ADAM) PBPK models. Allows simulation across multiple species—rat, mouse, monkey, dog, and human—within a single integrated environment.

• DDI Calculator: Rapidly identifies potential drug-drug interaction (DDI) risks for enzymes and transporters based on current regulatory guidance. Incorporates foundational models such as competitive inhibition, mechanism-based inhibition, induction, transporter inhibition, and mechanistic static interaction models.

• Automated Sensitivity Analysis: Perform comprehensive sensitivity analyses using a built-in tool. Supports formulation optimization by identifying key factors like solubility improvements through spray-dried dispersions or particle size reduction via micronization.

• PK Parameter Estimation: Accurately estimates pharmacokinetic parameters using in vivo data from reference formulations such as intravenous or oral solutions.

Experience the power of Simcyp Discovery firsthand. Our team is standing by to provide personalized demonstrations and discuss how this revolutionary platform can accelerate your specific development programs.

Contact our experts today to schedule your demo and discover why leading pharmaceutical companies worldwide trust Simcyp Discovery to guide their most critical development decisions.

Because in drug development, certainty isn't just an advantage – it's everything.