Caco-2 Model
Accelerate drug development with Caco-2 Model. Predict intestinal permeability for better absorption. Download now for improved pharmacokinetic predictions.
We have published several papers using the methods in the Auto-Modeller. They are:
- Gaussian processes: a method for automatic QSAR modeling of ADME properties Obrezanova O, Csanyi G, Gola JM, Segall MD J. Chem. Inf. Model. (2007) 47(5) pp. 1847-57
- Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility Obrezanova O, Gola JMR, Champness E, Segall MD J. Comp. Aided Mol. Design (2008) 22(6-7) pp. 431-440
- Gaussian Processes for Classification: QSAR Modeling of ADMET and Target Activity Obrezanova O, Segall MD J. Chem. Inf. Model. (2010) 50 (6), pp. 1053-1061
- Hansen, J.D. et al. J. Med. Chem. (2018) 61(2) pp. 492-503.
In most cases, our users apply the Auto-Modeller to build models for use in their proprietary drug discovery projects. Therefore, unfortunately, it is unusual for them to publish these models in the public domain.
More models resources
Aquatic toxicity
Evaluate aquatic toxicity with StarDrop Aquatic Toxicity model.
Human volume of distribution models
The volume of distribution (VDss) is an in vivo pharmacokinetic parameter representing the hypothetical volume into which the dose of drug would…