ADMETLab2 is the improved version of ADMETLab, a suite of models for systematic evaluation of ADMET properties. ADMETLab2 provides predictions on 17 physicochemical properties, 13 medicinal chemistry properties, 23 ADME properties, 27 toxicity endpoints and 8 toxicophore rules. The code and training data are not released, using this model posts predictions to the ADMETLab2 online server. The Ersilia Model Hub also offers ADMETLab (v1) as a downloadable package for IP-sensitive queries.
- EOS model ID:
eos2v11 - Slug:
admetlab-2
- Input:
Compound - Input Shape:
Single - Task:
Regression, Classification - Output:
Experimental value, Probability - Output Type:
Float - Output Shape:
List - Interpretation: Predicted relevant ADMET properties, Tox21 outcomes, physicochemical properties and drug-likeness. Outputs are of mixed type, including classification (labels) and continuous values.
- Publication
- Source Code
- Ersilia contributor: miquelduranfrigola
If you use this model, please cite the original authors of the model and the Ersilia Model Hub.
This package is licensed under a GPL-3.0 license. The model contained within this package is licensed under a Proprietary license.
Notice: Ersilia grants access to these models 'as is' provided by the original authors, please refer to the original code repository and/or publication if you use the model in your research.
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