Simulations Plus software

GastroPlus - PBPK Modeling and Simulation Platform

GastroPlus is a simulation software designed for detailed mechanistic modeling of drug absorption across various administration routes including intravenous, oral, ocular, inhalation, dermal, subcutaneous, and intramuscular delivery. It is utilized to simulate the pharmacokinetics and pharmacodynamics properties in both humans and animals. The platform integrates user-friendly features with sophisticated scientific methodologies allowing researchers to make rapid and informed decisions based on a comprehensive understanding of biopharmaceutics processes. It provides modules that permit customization based on departmental needs, focusing on areas such as drug-induced liver injury and metabolic diseases. With its robust physiologically-based pharmacokinetics (PBPK) and biopharmaceutics modeling (PBBM) capability, GastroPlus enables the prediction of absorption and systemic processing of complex molecules, assisting in the de-risking of drug development programs.

DILIsym - Software for Predicting Drug-Induced Liver Injury

DILIsym is a sophisticated quantitative systems toxicology (QST) software designed to predict and elucidate drug-induced liver injury (DILI). This tool utilizes a middle-out, multi-scale modeling approach to simulate the complex biochemical and physiological interactions leading to liver toxicity. DILIsym integrates compound exposure with mechanisms of drug toxicity and inter-individual variability, offering insights into hepatotoxicity prediction for multiple species, including mice, rats, dogs, and humans. Its comprehensive sub-models cover key liver cell populations, intracellular biochemical processes, and immune response simulations. DILIsym supports drug development by enabling the assessment of potential DILI risks and mechanistic analysis of observed liver injury signals. It features a graphical user interface for simulating experimental parameters and provides a command-line option for streamlined workflow integration. The software can be extended with a high-performance grid license for large-scale simulations, making it a valuable tool for pharmaceutical companies and researchers involved in hepatic safety evaluations.

MonolixSuite™ - Pharmacometric Analysis Software

MonolixSuite is a comprehensive software suite designed for model-informed drug development, particularly focused on pharmacometrics. It provides a fast and user-friendly environment for analysis, modeling, and simulation, enabling full integration of applications for a seamless workflow. The suite encompasses capabilities ranging from data visualization to non-compartmental and population modeling, offering tools for parameter estimation in non-linear mixed effect models and advanced graphical representation. The 2024 version introduces new features such as integrated bootstrap, plot presets, and enhanced compatibility with sparse data. Modules like PKanalix® support compartmental and non-compartmental analyses, while Simulx® excels in clinical trial simulations, enhancing decision-making in drug development. MonolixSuite aims to streamline complex analyses, making it a valuable asset for pharmaceutical researchers and practitioners.

ADMET Predictor - Machine Learning Platform for ADMET Modeling

ADMET Predictor is an advanced machine learning platform developed by Simulations Plus, dedicated to the prediction of ADMET (Absorption, Distribution, Metabolism, Elimination, and Toxicity) properties. With the ability to predict over 175 properties, it integrates seamlessly with computational chemistry and medicinal chemistry applications, offering precise predictions on solubility, logP, pKa, and sites of CYP metabolism. Enhanced through high-throughput GastroPlus® simulations, it supports the decision-making process in drug discovery and risk assessment. The platform's REST API allows for comprehensive integration into third-party informatics platforms, enhancing data analysis and compound design efforts. Its proprietary modules support the creation of QSAR/QSPR models and facilitate advanced data mining techniques. By utilizing ADMET Predictor, one can streamline the assessment of pharmacokinetic risks such as high plasma protein binding and volume of distribution, contributing to safer and more effective drug development processes.