Drug design | Medicinal Chemistry | Pharmaceutical Sciences Multi-objective de novo drug design with conditional graph generative model. November 14, 2018
Bioinformatics | Computational Chemistry | Drug design CGBVS-DNN: Prediction of Compound-protein Interactions Based on Deep Learning. September 26, 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
Bioinformatics | Drug design | Structural Biology Prediction of residue-residue contact matrix for protein-protein interaction with Fisher score features and deep learning. May 21, 2018