The model is simply an implementation of the function Descriptors.MolWt of the chemoinformatics package RDKIT. It takes as input a small molecule (SMILES) and calculates its molecular weight in g/mol.
- EOS model ID:
eos3b5e - Slug:
molecular-weight
- Input:
Compound - Input Shape:
Single - Task:
Regression - Output:
Other value - Output Type:
Float - Output Shape:
Single - Interpretation: Calculated molecular weight (g/mol)
- 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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