Chemoinformatics | Drug Discovery | Machine Learning Multi-channel GCN ensembled machine learning model for molecular aqueous solubility prediction on a clean dataset. June 23, 2022
Artificial Intelligence | Pharmaceutical Sciences Boosting the predictive performance with aqueous solubility dataset curation. March 4, 2022
Computer Science | Pharmaceutical Sciences Improved Lipophilicity and Aqueous Solubility Prediction with Composite Graph Neural Networks. October 23, 2021
Chemistry | Computer Science | Pharmaceutical Sciences A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubility. January 12, 2021
Chemistry | Data Science | Pharmaceutical Sciences Accurate predictions of aqueous solubility of drug molecules the multilevel graph convolutional network (MGCN) and SchNet architectures. October 16, 2020
Other Different molecular enumeration influences in deep learning: an example using aqueous solubility. June 5, 2020
Pharmaceutical Chemistry Improved Prediction of Aqueous Solubility of Novel Compounds by Going Deeper With Deep Learning. March 2, 2020
Chemoinformatics | Pharmacology Deep architectures and deep learning in chemoinformatics: the prediction of aqueous solubility for drug-like molecules. November 13, 2018
Chemistry | Drug design | Pharmaceutical Sciences TopP-S: Persistent homology-based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility. July 2, 2018