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Unlocking the Power of Predictive Toxicology: What’s New in DILIsym® 11
Introducing DILIsym® 11, the latest evolution of the industry’s leading quantitative systems toxicology (QST) platform.
What, This “Base” Is Not a Base? Common Misconceptions about Aqueous Ionization That May Hinder Drug Discovery and Development
The challenges of modern medicinal chemistry increase with the complexity of the chemical compounds studied.
Pharmacomicrobiomics
Oral medications encounter gut commensal microbes that participate directly and indirectly in drug effects through metabolism, interactions with drug metabolites, or production of substrates that compete with drugs for drug-metabolizing enzymes, consequently influencing drug pharmacokinetics.
Becoming a Better Scientist with AI: How Tools Like GastroPlus X.2 and GastroPlusGPT Support Modelers
Learn how AI-powered tools--specifically GastroPlusGPT--can help physiologically based pharmacokinetic (PBPK) modelers work more efficiently, focus on deeper analysis, and ultimately be better scientists.
Introducing GastroPlus X.2: AI, Automation, Insights & More
Get a first look at game-changing new functionality that will revolutionize your PBPK/PBBM modeling.
GPX.2 Comparison Flyer
How does your PBPK/PBBM modeling and simulation platform stack up?
A Framework for Computing TK-equivalence Using a Large Number of Environmental Compounds
The growing imperative to minimize animal testing has driven the adoption of New approach methodologies (NAMs), including read-across (RAx) methodologies.
Basics of PBPK Modelling and Introduction to GastroPlus® X & its integration with AI
Overview of Mechanistic Processes in GastroPlus®
Can you spare 25mg? Optimizing Benchwork and Computational Approaches to Assess CMC Success
Drug discovery scientists often believe gram scale quantities of API are required to determine CMC properties like solubility, oral absorption, salt selection, and formulation strategy.
QSP: Strengthening First in Human Dose Selection for Immunotherapy
Selecting the optimal first-in-human (FIH) dose is one of the most challenging steps in drug development.
GastroPlus®X.2 Product Brochure
GastroPlus X.2 is a mechanistically based simulation software package that simulates intravenous and oral absorption, pharmacokinetics, drug-drug interactions and pharmacodynamics in humans and animals.
The EuroSAMPL1 pKa Blind Prediction and Reproducible Research Data Management Challenge
The development and testing of methods in computational chemistry for the prediction of physicochemical properties is by now a mature form of scientific research, with a number of different methods ranging from molecular mechanics simulations, over quantum calculations, to empirical and machine learning models.
QSP Modeling: Optimizing Therapy Efficacy in a Heterogeneous SLE Population
Despite systemic lupus erythematosus (SLE) clinical trials being conducted for over half a century, there are only two biologic therapies that are approved by the FDA to treat SLE: belimumab and anifrolumab.
Exposure–Response Analysis for Aripiprazole Once-Monthly in Patients Diagnosed With Bipolar I Disorder
Aripiprazole once-monthly (AOM) is approved for the maintenance monotherapy treatment of bipolar I disorder (BP-I) in adults.
Top 3 Challenges in Thought Leader Management
Today more than ever, the role of thought leaders—also referred to as key opinion leaders (KOLs), external experts, and other designations—is critical.
Application of Quantitative Systems Toxicology and Machine Learning Models in the Assessment of Drug-Induced Liver Injury
The QST Model DILIsym Provides More Comprehensive Predictions of DILI Risk than Artificial Intelligence Models
Successes and Failures of DILIsym
QST Models Predict Tox via the Intersection Between Exposure, Mechanisms, and Inter-Patient Variability
Dissolving Microneedle Patches for Transdermal Delivery of Paroxetine: in-vitro, ex-vivo Studies and its PBPK Modeling
Paroxetine HCl (PRX-HCl), an antidepressant, has poor water solubility and low oral bioavailability with 50% being metabolized in the liver.
Advancing Probabilistic Risk Assessment of Perfluorooctanoic Acid Through Integration of in vitro Data and Physiologically Based Toxicokinetic Modeling Coupled with Population-Specific Analysis
Current human health risk assessment for perfluorooctanoic acid (PFOA) has proven inadequate due to a lack of innovative approaches.