This is a ligand-based target prediction model developed by the ChEMBL team. They trained the model using pairs of small molecules and their protein targets, and produced a multitask predictor. The thresholds of activity where determined by protein families (kinases: <= 30nM, GPCRs: <= 100nM, Nuclear Receptors: <= 100nM, Ion Channels: <= 10μM, Non-IDG Family Targets: <= 1μM). Here we provide the model trained on ChEMBL_28, which showed an accuracy of 85%.
- EOS model ID:
eos1vms - Slug:
chembl-multitask-descriptor
- Input:
Compound - Input Shape:
Single - Task:
Classification - Output:
Probability - Output Type:
Float - Output Shape:
List - Interpretation: Probability of having the protein (identified by ChEMBL ID), as target
- 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 None 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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