Rong2020 - Grover-Esol: Prediction of water solubility (log solubility in mols per litre) for common organic small molecules

This model has been trained using the GROVER embedding and the Molecule Net ESOL dataset. .

Model Type: Molecular properties prediction ML model.
Model Relevance: Predicts Log Solubility.
Model Encoded by: Amna Ali (Ersilia)
Metadata Submitted in BioModels by: Zainab Ashimiyu-Abdusalam

Implementation of this model code by Ersilia is available here:
https://github.com/ersilia-os/eos8451