Predicting ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties plays an essential role in the drug design process because they account for approximately 60% of all drugs' failures in clinical studies. CD ComputaBio can accurately predict these properties using various computer models and massive pharmacological databases, thereby helping researchers eliminate molecules with poor ADMET properties and greatly reducing R&D costs.
Figure 1. ADMET Prediction.
Our services
| Project name |
ADMET Prediction Service |
| Samples requirement |
Our ADMET prediction service requires you to provide specific requirements. |
| Timeline |
Decide according to your needs. |
| Deliverables |
We provide you with raw data and analysis service. |
| Price |
Inquiry |
Overall solutions
Scientists at CD ComputaBio are experienced using project data or published data to build QSAR and other models, predict ADMET properties of new compounds, and support multi-parameter optimization during the design process. We can also use the ADMET QSAR model established by the software vendor to estimate these attributes. Our ADMET prediction provides information about dose size and dose frequency, such as oral absorption, bioavailability, brain penetration, clearance (for exposure) and distribution (for frequency).
The main functions of ADMET prediction service:
- More than 100 predicted attributes.
- pKa prediction, including all micro states.
- CYP metabolite production and kinetic parameters.
- Confidence Estimation of Classification Model.
- Interactive distribution and 2D and 3D scatter plots.
- Ability to customize your own QSPR/QSAR model.
We can provide you with the following service but not limited to:
| Absorption |
Human Intestinal Absorption |
| P-glycoprotein Substrate |
| P-glycoprotein Inhibitor |
| Distribution |
Blood-Brain Barrier |
| VDss (human) |
| Plasma Protein Binding |
| Metabolism |
CYP450 1A2 Inhibitor |
| CYP450 1A2 Substrate |
| CYP450 2C9 Inhibitor |
| Excretion |
Total Clearance |
| Toxicity |
Acute Oral Toxicity |
| AMES Toxicity |
| Chronic toxicity |
| Developmental toxicity |
| Reproductive toxicity |
Features:
- Comprehensive and reliable ADMET prediction model.
- Professional technical service.
- Safe and stable cluster environment.
- High standard data privacy management.
- Competitive price advantage.
Related Services:
CD ComputaBio' ADMET prediction service can significantly reduce the cost and labor of the subsequent experiments. ADMET prediction service is a personalized and customized innovative scientific research service. Each project needs to be evaluated before the corresponding analysis plan and price can be determined. If you want to know more about service prices or technical details, please feel free to contact us.
ADMET Prediction Service FAQs
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Q: What physicochemical parameters can affect the drug ADMET?
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Q: Why need ADMET prediction?
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A: There is a growing need for good ADMET property prediction tools to serve two key objectives - first, in the design phase of new compounds and compound libraries to reduce the risk of late attrition, and second, to optimize screening and testing by looking only at the most promising compounds.
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Q: Highlights of CD ComputaBio's ADMET prediction service?
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A: Our scientists have extensive experience in building QSAR and Free-Wilson models to predict different ADMET properties of new compounds using project data or published data to support multi-parameter optimization during design. We can also apply established ADMET models from software vendors and open source applications to estimate properties and predict metabolic sites. In addition, a range of machine learning and AI techniques can now be utilized to create and deploy predictive models to bench chemists based on local or global data. These models can be retrained and adapted throughout the project to ensure that the best predictive performance is delivered.
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Q: Main applications of ADMET Prediction?
* For Research Use Only.
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