Purpose
To build and test a computational model for predicting small molecule solubility, to improve the cost-effectiveness of the selection of vendor compounds suitable for nuclear magnetic resonance (NMR) screening.
- Software
- GastroPlus®
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PBBM / PBPK modeling & simulation software package which simulates all major dosing routes and drug-drug interactions (DDIs) in virtual human & animal population groups.
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- MonolixSuite™
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Easy, fast, and powerful tool for parameter estimation in non-linear mixed effect models, model diagnosis and assessment, and advanced graphical representation.
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- ADMET Predictor®
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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.
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- DILIsym®
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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.
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- DDDPlus™
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A mechanistic simulation engine for the in vitro dissolution experiment that predicts in vitro disintegration and dissolution of pharmaceutical dosage forms.
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- NAFLDsym®
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Quantitative Systems Pharmacology (QSP) software for mechanistic mathematical modeling of nonalcoholic fatty liver disease (NAFLD.)
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- MembranePlus™
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A detailed modeling & simulation program for in vitro metabolism & transport studies.
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- PKanalix®
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Graphical and interactive software for non-compartmental and compartmental analysis.
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- Simulx®
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A powerful and flexible simulator for clinical trial pharmacometrics.
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- IPFsym®
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Quantitative Systems Pharmacology (QSP) software providing the ability to predict the efficacy of drugs being developed to treat idiopathic pulmonary fibrosis (IPF.)
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- ILDsym®
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Quantitative Systems Pharmacology (QSP) software for mechanistic mathematical modeling of interstitial lung disease (ILD) associated with system sclerosis (SSc.)
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- RENAsym®
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Quantitative Systems Toxicology (QST) software for predicting and understanding drug-induced kidney injury.
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- MedChem Designer™
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FREE chemical sketching software tool which combines innovative molecule drawing features.
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- QSP Software
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QSP software for predicting efficacy & guiding design.
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- GastroPlus®
- Resource Center
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