Pharmaceutical Sciences Predicting oral disintegrating tablet formulations by neural network techniques. February 27, 2020
Chemistry | Pharmaceutical Sciences Predicting complexation performance between cyclodextrins and guest molecules by integrated machine learning and molecular modeling techniques. December 26, 2019
Bioinformatics | Chemoinformatics | Pharmaceutical Sciences MathDL: mathematical deep learning for D3R Grand Challenge 4. November 17, 2019
Artificial Intelligence | Pharmaceutical Sciences Has Drug Design Augmented by Artificial Intelligence Become a Reality? October 20, 2019
Bioinformatics | Chemistry | Pharmaceutical Sciences OnionNet: a Multiple-Layer Intermolecular-Contact-Based Convolutional Neural Network for Protein-Ligand Binding Affinity Prediction. October 8, 2019
Bioinformatics | Pharmaceutical Sciences Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods. September 11, 2019
Chemistry | Drug Discovery | Pharmaceutical Sciences Pushing the boundaries of molecular representation for drug discovery with graph attention mechanism. August 13, 2019
Medicinal Chemistry | Pharmaceutical Sciences Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery. July 11, 2019
Drug Discovery | Medicinal Chemistry | Pharmaceutical Sciences An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A receptor. May 25, 2019
Chemoinformatics | Drug Discovery | Pharmaceutical Sciences Reinforced Adversarial Neural Computer for de Novo Molecular Design. May 13, 2019
Chemoinformatics | Drug design | Pharmaceutical Sciences Three-Dimensional Classification Structure-Activity Relationship Analysis Using Convolutional Neural Network. May 7, 2019
Bioinformatics | Infectious Diseases | Pharmaceutical Sciences Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery. April 23, 2019