Proprietary modeling platforms are driving the vast majority of internal R&D activities at companies.
Assessing Effects of Sublingual BHV-0223 and Oral Riluzole on Liver Function Test Parameters
DILIsym is a mechanistic, mathematical model that has been constructed to support pharmaceutical risk assessment and decision making
Applying in silico-in vitro-in vivo Extrapolation (IS-IV-IVE) Techniques to Predict Exposure and Guide Risk Assessment
Applying IS-IV-IVE Techniques to Predict Exposure and Guide Risk Assessment
Game Changing: The Latest Developments in the Machine Learning/ PBPK/QST Modeling Space
Simulations Plus continues to lead in the areas of PBPK modeling to support regulatory submissions and alternatives to animal testing.
DILIsym 8A New Features for Predicting & Understand Drug-Induced Liver Injury
So how can DILIsym help my organization? Predict DILI liabilities beforehand and save $$$, Choose the lead candidate most likely to succeed from a DILI standpoint, Communicate with regulators on safety issues with information they have requested from others numerous times and from a platform they license (FDA) & keep patients safer.
An Update to the DILI-sim Initiative and the DILIsym Tool
Identifying Right Target, Right Drug, Right Dose and Right Patient
Use of a Quantitative Systems Pharmacology (QSP) Model to Predict Liver Toxicity in Simulated Populations
DILIsym is a mechanistic, mathematical model that has been constructed to support pharmaceutical risk assessment and decision making.
Mechanisms Underlying Species Differences in Hepatotoxicity
Quantitative Systems Toxicology (QST) modeling can explain and predict species differences in dose-dependent hepatotoxicity.
Assessing the Role of Intracellular Binding Protein in Drug-Induced Bile Acid Transporter Inhibition Using QuantiativeSystems Pharmacology (QSP) Modeling
DILIsym Is Used to Predict Bile-Acid Mediated Drug-Induced Liver Injury
HTPK: Conducting PK modeling and simulations at high speed
HTPK lightens the burden of collecting and preparing input variables for full blown PK simulations by using structure-based predictions.
Using in-silico Models to Integrate in-vitro Data to Support Virtual Trials for Cost Effective Drug Development
PBPK models allow incorporating different types of in vitro measurements into single platform to account for all processes affecting drug’s absorption, distribution and elimination.
Use of In Silico Mechanistic Models to Support Interspecies Extrapolation of Oral Bioavailability and Formulation Optimization: Model Example Using GastroPlus™
PBPK models provide unique platform to combine information from in vitro, in silico and animal assays for accurate prediction of complex drug behavior in vivo
Estimating Predictive Uncertainty for Ensemble Regression Models by Gamma Error Analysis
The Standard Error (SE) of Prediction: a Measure of Individual Uncertainties
Applications of Multi-Class Machine Learning Models to Drug Design
Until recently, machine learning classification models in Cheminformatics literature have generally modeled binary endpoints (active/inactive, substrate/non-substrate, toxic/non-toxic, etc.)
Using DILIsym, A Quantitative Systems Toxicology (QST) Software Tool of Drug-Induced Liver Injury (DILI), To Assess DILI Risk in Drug Development
A combination of multiple mechanistic, in silico modeling approaches can facilitate drug discovery (QSAR, PBPK, QSP and QST).
Mechanistic Modeling of in vitro Assays to Improve in vitro/in vivo Extrapolation
Mechanistic Modeling of in vitro assays to Improve in vitro/in vivo Extrapolation using Membrane Plus
Incorporating Mechanistic Modeling & Simulation to Assist with Formulation Development and Regulatory Evaluations
A mechanistic, physiologically-based absorption/PK model was constructed in GastroPlus and validated across three dose levels (50, 100, and 300 mg) using in vivo data collected from tablets manufactured…
High-Throughput Pharmacokinetics for Drug Discovery
The high-throughput implementation of PBPK simulation in ADMET Predictor yields results in good agreement with analogous analyses in GastroPlus. HTPK simulations run using purely in silico property…
Discovery PBPK: How to Estimate the Expected Accuracy of ISIVB and IVIVB for New Chemical Entities
PBPK modeling and simulation can be successfully used in the lead optimization phase of drug discovery. Using CLloc, accurate bioavailability can be predicted for new compounds in a chemical series.