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

ABSTRACT:

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

SUBMITTER: Zainab Ashimiyu-Abdusalam 

PROVIDER: MODEL2406040005 | biostudies-other |

SECONDARY ACCESSION(S): 10.48550/arXiv.2007.02835

REPOSITORIES: biostudies-other