Oncology | Pharmacology Generative Model for Proposing Drug Candidates Satisfying Anticancer Properties Using a Conditional Variational Autoencoder. August 10, 2020
Chemical Engineering Toward a Robust, Universal Predictor of Gas Hydrate Equilibria by Means of a Deep Learning Regression. January 7, 2020
Bioinformatics | Chemistry | Pharmaceutical Sciences OnionNet: a Multiple-Layer Intermolecular-Contact-Based Convolutional Neural Network for Protein-Ligand Binding Affinity Prediction. October 8, 2019
Chemistry | Life Sciences Prediction of Compound Profiling Matrices, Part II: Relative Performance of Multitask Deep Learning and Random Forest Classification on the Basis of Varying Amounts of Training Data. November 14, 2018
Computational Biology | Pharmaceutical Sciences Prediction of Compound Profiling Matrices Using Machine Learning. November 14, 2018