ADMET Prediction Service

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.

ADMET Prediction.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).

ADMET properties predictions.

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


  • Comprehensive and reliable ADMET prediction model.
  • Professional technical service.
  • Safe and stable cluster environment.
  • High standard data privacy management.
  • Competitive price advantage.

Applications of ADMET prediction

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.

* For Research Use Only.