Artificial Intelligence | Pharmaceutical Chemistry Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation. October 3, 2022
Drug Discovery | Pharmacology Prediction of In Vivo Pharmacokinetic Parameters and Time-Exposure Curves in Rats Using Machine Learning from the Chemical Structure. April 12, 2022
Chemistry | Pharmacology Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study. May 14, 2021
Bioinformatics | Oncology | Pharmacology KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images. June 27, 2019
Drug Discovery | Precision Medicine Reliable Prediction Errors for Deep Neural Networks Using Test-Time Dropout. June 27, 2019
Bioinformatics | Chemoinformatics | Pharmaceutical Sciences Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Prediction Errors for Deep Neural Networks. March 25, 2019
Bioinformatics | Oncology | Pharmacology DeepSynergy: predicting anti-cancer drug synergy with Deep Learning. December 18, 2018