Dataset Information

Francoeur2021 - SolTranNet–A Machine Learning Tool for Fast Aqueous Solubility Prediction

ABSTRACT: Fast aqueous solubility prediction based on the Molecule Attention Transformer (MAT). The authors used AqSolDB to fine-tune the MAT network to solubility prediction, achieving competitive scores in the Second Challenge to Predict Aqueous Solubility (SC2). Model Type: Predictive machine learning model. Model Relevance: Predicts log of the solubility of small molecules. Model Encoded by: Miquel Duran Frigola (Ersilia) Metadata Submitted in BioModels by: Zainab Ashimiyu-Abdusalam Implementation of this model code by Ersilia is available here: https://github.com/ersilia-os/eos6oli

SUBMITTER: Zainab Ashimiyu-Abdusalam