One of the more common narratives surrounding AI is the idea that automation will gradually reduce the importance of scientists and technical experts. Personally, I believe the opposite is true.
ADMET Predictor® 14: Expanded bRo5, HTPK, and AI Capabilities
Drug discovery is maturing. Researchers are increasingly focusing on challenging targets, including beyond Rule of 5 (bRo5) compounds, to achieve previously intractable therapeutic opportunities.
Scientific Engines and Regulatory Trust Must Sit at the Center of AI
AI is the buzzword across every industry right now, and the pharma industry is not immune.
Mechanistic Modeling in the Age of AI: Why PBPK Still Anchors Human Dose Prediction
We have an exciting new drug target, we’ve validated the biology, we have a structure, now it’s time to design a compound.
ADMET Predictor® 14 Product Brochure
Predict and build with confidence
Earlier & Faster: Combining ML and HT-PBPK to Accelerate Early Small Molecule Drug Discovery
Accurately predicting the pharmacokinetics (PK) of small-molecule candidates early in discovery can accelerate optimization cycles, reduce animal testing, and improve the quality of compounds advancing toward the clinic.
Everyone Sees AI Differently, and That’s the Challenge
Right now, using AI means something completely different depending on who you ask.
A Curated Benchmark Database for High-Throughput Mechanistic Pharmacokinetic Prediction
The evaluation of a drug candidate's pharmacokinetic (PK) properties, while critical for the success of a drug, has traditionally been excluded from the early drug development process, in large part due to the cost of assays and the difficulty predicting PK properties from structures.
Exploring Avenues of Predicting Drug-Induced Liver Injury
Drug-induced liver injury (DILI) is a major cause of acute liver dysfunction and remains one of the most challenging adverse drug reactions encountered in clinical practice.
Sustained Drug Exposure Drives Efficacy in Mice: PK/PD Analysis of Corallopyronin A against Wolbachia using Physiologically Based Absorption Modeling
Corallopyronin A (CorA) depletes essential Wolbachia endosymbionts of filarial nematodes and is therefore a promising candidate for treating the neglected tropical diseases lymphatic filariasis and onchocerciasis.
Simulations Plus Announces Expiration of Hart-Scott-Rodino Waiting Period for Pending Acquisition by Altaris
Simulations Plus, Inc. (Nasdaq: SLP) (“Simulations Plus” or the “Company”), a global leader in model-informed and AI-accelerated drug development that advances biopharma innovation, announced the expiration of the waiting period...
DILI-sim Initiative
Join the DILI-sim Consortium to have a front row seat as we launch a new chapter in the scientific development of the DILIsym model. In the next three years (2027-2030), we will make major advancements to address emerging areas of liver safety concerns.
Toxicity of Some Natural Products in the Treatment of Rheumatoid Arthritis
Rheumatoid arthritis (RA) is a chronic autoimmune disease that affects mainly peripheral joints because of inflammation of the synovial membrane.
What Builds Trust During Regulatory Review?
Regulatory reviewers are tasked with assessing whether the level of model validation is appropriate for its risk and impact, and their confidence is established when the overall modeling approach is proportionate, coherent, and easy to verify.
Integrating In Silico Modeling Into Undergraduate Education To Enhance Students Competency in Biopharmaceutics and Pharmacokinetics
Pharmacokinetics and biopharmaceutics are core components of pharmacy education, providing the scientific foundation for drug development and therapeutic application.
Strategies for Pediatric Dose Derivation From Population Pharmacokinetic Models
Health authorities worldwide require clinical studies in children to ensure scientifically rigorous and consistent dosing.
What Modeling Mistakes Reduce Trust in Simulation Results?
In drug development, trust in the models utilized is critical. Even when a model demonstrates acceptable predictive performance, certain recurring issues can significantly reduce reviewer confidence.
Quantification of the Exposure of Consumers and Hairdressers to Formaldehyde and Oxalic Acid After Application of Hair Straightening Products Containing Glyoxylic Acid
Glyoxylic acid (GA), the active ingredient of heat-activated hair straightening products (GHSPs) has been discussed in the context of acute kidney injury (AKI) via oxalic acid (OA) crystal formation and of heat-decomposition resulting in release of formaldehyde.
A Multivariate Ann-CCD Integrative Model Using Cellulose Based Polymers for the Development of Osmotically Controlled Push-Pull Dexibuprofen Tablets and Its Predictive Pharmacokinetic Modeling
The biocompatible macromolecules play a pivotal role in enhancing the performance of various drug delivery systems.
In Silico Predictions for ADME and Toxicology
Advances in computational modeling are transforming how scientists predict a compound’s Absorption, Distribution, Metabolism, Excretion, and Toxicology (ADMET) profiles.