Deep Learning | Drug Discovery | Pharmaceutical Sciences Geometric deep learning methods and applications in 3D structure-based drug design. May 17, 2024
Drug Discovery | Pharmacology A dual diffusion model enables 3D molecule generation and lead optimization based on target pockets. March 27, 2024
Drug Discovery | Oncology | Pharmacology Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design. March 16, 2023
Diabetology | Drug Discovery Drug repositioning in drug discovery of T2DM and repositioning potential of antidiabetic agents. June 29, 2022
Gastroenterology | Pharmacology Discovery of Pyrazolo[3,4-]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation. November 25, 2021
Drug Discovery | Pharmaceutical Chemistry A Novel Scalarized Scaffold Hopping Algorithm with Graph-Based Variational Autoencoder for Discovery of JAK1 Inhibitors. September 13, 2021
Bioinformatics | Drug design | Medicine MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm. August 11, 2020
Oncology | Radiology | Surgery Development and Validation of an Image-based Deep Learning Algorithm for Detection of Synchronous Peritoneal Carcinomatosis in Colorectal Cancer. July 22, 2020