A set of ca 1,800 chemical descriptors, including both RDKit and original modules. It is comparable to the well known PaDEL-Descriptors (see eos7asg), but has shorter calculation times and can process larger molecules.
- EOS model ID:
eos78ao - Slug:
mordred
- Input:
Compound - Input Shape:
Single - Task:
Representation - Output:
Descriptor - Output Type:
Float - Output Shape:
List - Interpretation: Vector representation of a molecule
- 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 BSD-3.0 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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