PBBM / PBPK modeling & simulation software package which simulates all major dosing routes and drug-drug interactions (DDIs) in virtual human & animal population groups.
Easy, fast, and powerful tool for parameter estimation in non-linear mixed effect models, model diagnosis and assessment, and advanced graphical representation.
Flagship machine learning platform for ADMET modeling with extended capabilities for data analysis, metabolism prediction, high-throughput pharmacokinetic simulation (HTPK), and AI-driven drug design.
Quantitative Systems Toxicology (QST) software designed to be used during drug development to provide deeper insight into the mechanisms responsible for observed drug-induced liver injury (DILI) responses.
A mechanistic simulation engine for the in vitro dissolution experiment that predicts in vitro disintegration and dissolution of pharmaceutical dosage forms.
Quantitative Systems Pharmacology (QSP) software for mechanistic mathematical modeling of nonalcoholic fatty liver disease (NAFLD.)
A detailed modeling & simulation program for in vitro metabolism & transport studies.
Graphical and interactive software for non-compartmental and compartmental analysis.
A powerful and flexible simulator for clinical trial pharmacometrics.
Quantitative Systems Pharmacology (QSP) software providing the ability to predict the efficacy of drugs being developed to treat idiopathic pulmonary fibrosis (IPF.)
Quantitative Systems Pharmacology (QSP) software for mechanistic mathematical modeling of interstitial lung disease (ILD) associated with system sclerosis (SSc.)
Quantitative Systems Toxicology (QST) software for predicting and understanding drug-induced kidney injury.
FREE chemical sketching software tool which combines innovative molecule drawing features.
Custom QSP software for predicting efficacy & guiding design.
The ADMET Predictor Module extends the capability of MembranePlus by enabling you to obtain chemical structure-based predictions of all physicochemical, and key CYP metabolism kinetic, parameters required for MembranePlus simulations of in vitro hepatocyte or permeability assays. The module uses the same models as our best-in-class QSAR software.
The ADMET Predictor Module has two critical benefits:
easily create the project database by integrating measured data into the structure file to run simulations for in vitro hepatocyte or permeability assays.
Updated! models from the latest ADMET Predictor® version 10.3.
NEW! Prediction of Km/Vmax for metabolism by cytochrome P450 enzymes (CYPs), including isoforms 1A2, 2C9, 2C19, 2D6, and 3A4.
NEW! Classification models to predict whether imported compounds are inhibitors or substrates for OATP1B3, OCT1, OCT2, OAT3, BSEP, and BCRP; as well as previous Pgp and OATP1B1 models.
Improved! IVIVE settings for easy conversion to intestinal cell monolayers or hepatocytes.
Allow membrane model to be specified upon structure import.
Km values for OATP1B1, OATP1B3, OCT1, OCT2, OAT1, and OAT3.
